SCHEMBL31099010

SCHEMBL31099010

COc1ccc(CN2c3nc(C)ccc3CCC23CC(C(=O)O)N(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
OPRL1 P41146 2/20 0.36
LMNA P02545 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
P2RX3 P56373 2/20 0.33
KDM1A O60341 1/20 0.33
ROCK2 O75116 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL31099085 0.90 OPRM1 (0.37) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099059 0.90 OPRM1 (0.37) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099050 0.89 OPRM1 (0.34) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099066 0.89 OPRM1 (0.34) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099020 0.86 OPRM1 (0.33) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099015 0.86 OPRM1 (0.33) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099037 0.77 ROCK2 (0.42) OPRM1OPRL1LMNAHDAC8P2RX3
SCHEMBL24854160 0.75 OPRD1 (0.44) HDAC8ROCK2OPRD1OPRK1
SCHEMBL31099089 0.74 ROCK2 (0.43) OPRM1OPRL1LMNAHDAC8KDM1A
SCHEMBL31099039 0.73 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