SCHEMBL29993238

SCHEMBL29993238

O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TGM2 P21980 2/20 0.43
DRD4 P21917 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR6 P50406 2/20 0.40
ACHE P22303 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
XIAP P98170 1/20 0.38
BIRC3 Q13489 1/20 0.38
BIRC2 Q13490 1/20 0.38
BIRC7 Q96CA5 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR3 P32745 1/20 0.37
ERAP2 Q6P179 1/20 0.37

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
SCHEMBL12944882 1.00 POLB (0.44) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL5019942 1.00 POLB (0.44) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL943113 1.00 POLB (0.44) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL5019959 0.91 POLB (0.43) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL19540487 0.91 TGM2 (0.43) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL16791288 0.90 TGM2 (0.42) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL5019943 0.88 TGM2 (0.41) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL29993724 0.88 TGM2 (0.41) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL12944880 0.88 TGM2 (0.41) POLBTGM2DRD4SIGMAR1HTR6
SCHEMBL946384 0.88 TGM2 (0.41) POLBTGM2DRD4SIGMAR1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440507-B Compound as apoptosis protein inhibitor and application thereof 南京圣和药物研发有限公司 2022-10-18 CN disclosed