SCHEMBL6839201

SCHEMBL6839201

C[C@H](N)Cc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL264745 1.00 FOLH1 (0.50) FOLH1CYP2C9CYP2D6CYP2C19SLC6A2
SCHEMBL11141533 1.00 FOLH1 (0.50) FOLH1CYP2C9CYP2D6CYP2C19SLC6A2
SCHEMBL17374631 0.85 IRAK4 (0.47) CYP2C9CYP2D6CYP2C19SLC6A2TAAR1
SCHEMBL1048951 0.85 CYP2D6 (0.46) CYP2C9CYP2D6CYP2C19SLC6A2TAAR1
SCHEMBL157592 0.85 FOLH1 (0.53) FOLH1CYP2C9ALDH1A1ALOX15TSHR
SCHEMBL8194054 0.85 FOLH1 (0.53) FOLH1CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL19285676 0.84 GAA (0.49) CYP2C9CYP2D6CYP2C19SLC6A2TAAR1
SCHEMBL17799517 0.83 FOLH1 (0.52) FOLH1CYP2C9ALDH1A1ALOX15TSHR
SCHEMBL18301542 0.82 FOLH1 (0.56) FOLH1CYP2C9SLC6A2SLC6A4SLC6A3
SCHEMBL28766027 0.82 CYP2D6 (0.43) CYP2C9CYP2D6CYP2C19SLC6A2TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772586-A ANTAGONISTS OF ANTIDIURETIC AND VASOPRESSOR ACTIVITY OF HORMONE MEDICAL COLLEGE OF OHIO (US) 1988-09-20 US claimed
EP-0273645-A2 Novel derivatives of arginine vasopressin antagonists THE MEDICAL COLLEGE OF OHIO (US) 1988-07-06 EP claimed
US-4714696-A Novel derivatives of arginine vasopressin antagonists MEDICAL COLLEGE OF OHIO (US) 1987-12-22 US claimed
US-4649130-A Novel derivatives of arginine vasopressin antagonists MEDICAL COLLEGE OF OHIO (US) 1987-03-10 US claimed
EP-0189326-A2 Derivatives of arginine vasopressin antagonists Medical College of Ohio (US) 1986-07-30 EP claimed
US-4551445-A Derivatives of arginine vasopressin antagonists THE MEDICAL COLLEGE OF OHIO (US) 1985-11-05 US claimed
EP-0151016-A2 Arginine vasopressin antagonists Medical College of Ohio (US) 1985-08-07 EP claimed
EP-0061356-B1 ANTAGONISTS OF THE ANTIDIURETIC AND/OR VASOPRESSOR ACTION OF ARGININE VASOPRESSIN Medical College of Ohio (US) 1985-07-17 EP claimed
EP-0138604-A2 Arginine vasopressin antagonists Medical College of Ohio (US) 1985-04-24 EP claimed
US-4399125-A CYCLIC OLIGOPEPTIDES TRUSTEES OF COLUMBIA UNIVERSITY THE, A CORP. OF NY. 1983-08-16 US claimed
EP-0061356-A2 Antagonists of the antidiuretic and/or vasopressor action of arginine vasopressin Medical College of Ohio (US) 1982-09-29 EP claimed
CN-114853866-A Peptidomimetic macrocycles 艾瑞朗医疗公司 2022-08-05 CN disclosed
CN-112500466-B Peptidomimetic macrocycles 艾瑞朗医疗公司 2022-05-03 CN disclosed
CN-108348571-B Peptidomimetic macrocycles and uses thereof 艾瑞朗医疗公司 2022-03-22 CN disclosed
CN-114207129-A Agents and methods for replication, transcription and translation in semi-synthetic organisms 斯克利普斯研究所 2022-03-18 CN disclosed
EP-0138604-A2 Arginine vasopressin antagonists Medical College of Ohio (US) 1985-04-24 EP disclosed
US-4491577-A Antagonists of the antidiuretic action of arginine vasopressin THE MEDICAL COLLEGE OF OHIO (US) 1985-01-01 US disclosed
EP-0115379-A2 Antagonists of the antidiuretic action of arginine vasopressin Medical College of Ohio (US) 1984-08-08 EP disclosed
US-4399125-A CYCLIC OLIGOPEPTIDES TRUSTEES OF COLUMBIA UNIVERSITY THE, A CORP. OF NY. 1983-08-16 US disclosed
EP-0061356-A2 Antagonists of the antidiuretic and/or vasopressor action of arginine vasopressin Medical College of Ohio (US) 1982-09-29 EP disclosed