SCHEMBL31099050

SCHEMBL31099050

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
LMNA P02545 1/20 0.34
KDM1A O60341 2/20 0.33
ROCK2 O75116 4/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GHSR Q92847 2/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL31099066 1.00 OPRM1 (0.34) OPRM1OPRL1LMNAKDM1AROCK2
SCHEMBL31099085 0.90 OPRM1 (0.37) OPRM1OPRL1LMNAKDM1AROCK2
SCHEMBL31099059 0.90 OPRM1 (0.37) OPRM1OPRL1LMNAKDM1AROCK2
SCHEMBL31099015 0.90 OPRM1 (0.33) OPRM1OPRL1LMNAKDM1AROCK2
SCHEMBL31099020 0.90 OPRM1 (0.33) OPRM1OPRL1LMNAKDM1AROCK2
SCHEMBL31099010 0.89 OPRM1 (0.36) OPRM1OPRL1LMNAKDM1AROCK2
SCHEMBL31099037 0.79 ROCK2 (0.42) OPRM1OPRL1LMNAKDM1AROCK2
SCHEMBL31099089 0.74 ROCK2 (0.43) OPRM1OPRL1LMNAKDM1AROCK2
SCHEMBL24854160 0.73 OPRD1 (0.44) ROCK2HDAC8
SCHEMBL31099039 0.73 ROCK2 (0.41) OPRM1OPRL1LMNAKDM1AROCK2

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