SCHEMBL31099015

SCHEMBL31099015

COc1ccc(CN2c3nc(C)ccc3CC[C@@]23C[C@H](COS(C)(=O)=O)N(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KDM1A O60341 2/20 0.31
GPR119 Q8TDV5 2/20 0.31
GHSR Q92847 1/20 0.31
ROCK2 O75116 1/20 0.31
STS P08842 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
SCHEMBL31099020 1.00 OPRM1 (0.33) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099066 0.90 OPRM1 (0.34) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099050 0.90 OPRM1 (0.34) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099059 0.87 OPRM1 (0.37) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099085 0.87 OPRM1 (0.37) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099010 0.86 OPRM1 (0.36) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099037 0.76 ROCK2 (0.42) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099089 0.71 ROCK2 (0.43) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL24854160 0.70 OPRD1 (0.44) HDAC8GPR119ROCK2
SCHEMBL31099039 0.70 ROCK2 (0.41) OPRM1OPRL1LMNAHDAC8KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed