SCHEMBL29790299

SCHEMBL29790299

OCCOCCCc1cc(N2C3CCC2CNC3)ccn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
USP25 Q9UHP3 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
SCHEMBL21405035 1.00 OPRM1 (0.41) OPRM1DDB1CRBNROCK2ROCK1
SCHEMBL21456184 0.89 OPRM1 (0.46) OPRM1ROCK2ROCK1HTR2AHTR2C
SCHEMBL21405149 0.82 OPRM1 (0.42) OPRM1ROCK2ROCK1
SCHEMBL29838276 0.82 OPRM1 (0.42) OPRM1ROCK2ROCK1
SCHEMBL21456466 0.80 KDM4C (0.43) OPRM1HTR2AHTR2CHTR2B
SCHEMBL29790364 0.75 SMARCA2 (0.46)
SCHEMBL21405098 0.75 SMARCA2 (0.46)
SCHEMBL23205339 0.73 OPRM1 (0.47) OPRM1ROCK2HTR2AHTR2CHTR2B
SCHEMBL21673432 0.71 HRH3 (0.36) OPRM1HTR2A
SCHEMBL23205341 0.69 OPRM1 (0.50) OPRM1ROCK2ROCK1HTR2AHTR2C

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
EP-4038066-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-08-10 EP disclosed
CN-114787159-A BRM targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2022-07-22 CN disclosed