SCHEMBL42558

SCHEMBL42558

O=C(Nc1ccc(F)cc1)C1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.71
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
KMT2A Q03164 1/20 0.69
ENPP3 O14638 3/20 0.68
ENPP1 P22413 2/20 0.68
ENPP2 Q13822 2/20 0.68
HPGD P15428 1/20 0.66
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
PTPN2 P17706 1/20 0.59
EPHX1 P07099 1/20 0.58
NAMPT P43490 1/20 0.58

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
SCHEMBL8296637 0.98 PTPN1 (0.74) PTPN1RAB9ANPC1KMT2AENPP3
SCHEMBL10242579 0.96 KMT2A (0.69) PTPN1RAB9ANPC1KMT2AENPP3
SCHEMBL14734057 0.92 KMT2A (0.78) PTPN1RAB9ANPC1KMT2AENPP3
Hydrochloric Acid SCHEMBL5794594 0.91 KMT2A (0.76) PTPN1RAB9ANPC1KMT2AENPP3
SCHEMBL28656982 0.88 PTPN1 (0.89) PTPN1RAB9ANPC1KMT2AENPP3
SCHEMBL125695 0.88 PTPN1 (0.89) PTPN1RAB9ANPC1KMT2AENPP3
SCHEMBL27840833 0.87 KMT2A (0.71) PTPN1RAB9ANPC1KMT2AENPP3
Formamide SCHEMBL18488991 0.84 KMT2A (0.68) PTPN1RAB9ANPC1KMT2AENPP3
SCHEMBL4677821 0.84 KMT2A (0.63) PTPN1RAB9ANPC1KMT2AENPP3
SCHEMBL4677815 0.84 KMT2A (0.63) PTPN1RAB9ANPC1KMT2AENPP3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116272256-A Method and device for collecting tobacco fragrance in redried tobacco tail gas 云南烟叶复烤有限责任公司 2023-06-23 CN disclosed
CN-112495141-A Method and system for collecting tobacco fragrance in flue-cured tobacco leaf tail gas 云南烟叶复烤有限责任公司 2021-03-16 CN disclosed
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 EP disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 WO disclosed
EP-3122743-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES Azevan Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
WO-2015148962-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS, INC. (US) 2015-10-01 WO disclosed
EP-2587919-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER Azevan Pharmaceuticals, Inc. (US) 2013-05-08 EP disclosed
WO-2012003436-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed