SCHEMBL6534666

SCHEMBL6534666

O=C(O)CC1CCNNNC(CC(=O)O)(CC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
FFAR4 Q5NUL3 11/20 0.35
FFAR1 O14842 1/20 0.33
CYP1A2 P05177 1/20 0.31
EPHX1 P07099 1/20 0.31
ANPEP P15144 1/20 0.30
ENPEP Q07075 1/20 0.30

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
SCHEMBL8134719 0.90 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL29973085 0.74 CYP2C19 (0.42) CYP1A2
SCHEMBL28246813 0.68 SLC6A1 (0.46) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3065795 0.67 ANPEP (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL44579 0.66 GABRA5 (0.75) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL361304 0.65 SLC6A1 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL1967312 0.65 GABRA5 (0.72) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL16969163 0.64 FFAR4 (0.50) FFAR4FFAR1
SCHEMBL940485 0.63 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL939927 0.63 FFAR4 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107106709-A Radiopharmaceutical conjugates comprising a metabolite and an EPR agent targeting tumor cells 南非核能源有限公司 2017-08-29 CN claimed
WO-2000009169-A1 NON-PORPHYRIN COMPOUND FOR USE AS A DIAGNOSTICUM AND/OR PHARMACEUTICAL K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-02-24 WO claimed
EP-4308584-A1 NEW PEPTIDE-BASED DIAGNOSTIC AND THERAPEUTIC AGENTS EnliTISA (Shanghai) Pharmaceutical Co., Ltd. (CN) 2024-01-24 EP disclosed
CN-107106709-A Radiopharmaceutical conjugates comprising a metabolite and an EPR agent targeting tumor cells 南非核能源有限公司 2017-08-29 CN disclosed
CN-106573076-A Library of ph responsive polymers and nanoprobes thereof 德克萨斯大学系统董事会 2017-04-19 CN disclosed
EP-0956053-A4 METHOD FOR TREATING NEOPLASIA USING HUMANIZED ANTIBODIES WHICH BIND TO ANTIGEN A33 LUDWIG INST CANCER RES (US) 2004-05-26 EP disclosed
EP-1011736-A2 POLYMERS NYCOMED IMAGING AS (NO) 2000-06-28 EP disclosed
EP-0977600-A2 CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 2000-02-09 EP disclosed
EP-0956053-A1 METHOD FOR TREATING NEOPLASIA USING HUMANIZED ANTIBODIES WHICH BIND TO ANTIGEN A33 LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 1999-11-17 EP disclosed
WO-1998047541-A1 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-10-29 WO disclosed
WO-1998032469-A2 POLYMERS NYCOMED IMAGING AS (NO) 1998-07-30 WO disclosed
WO-1998022149-A1 METHOD FOR TREATING NEOPLASIA USING HUMANIZED ANTIBODIES WHICH BIND TO ANTIGEN A33 LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 1998-05-28 WO disclosed