SCHEMBL23205339

SCHEMBL23205339

CN1CC2CCC(C1)N2c1ccnc(CCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.47
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
HTR2A P28223 2/20 0.36
ADRA2A P08913 1/20 0.36
AR P10275 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SMARCA2 P51531 2/20 0.33
SMARCA4 P51532 2/20 0.33
CXCR4 P61073 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
SOS1 Q07889 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL21456184 0.83 OPRM1 (0.46) OPRM1OPRD1OPRK1HTR2AADRA2A
SCHEMBL21405486 0.80 GPR119 (0.44) IRAK4
SCHEMBL21456389 0.74 OPRM1 (0.51) OPRM1OPRD1OPRK1HTR2AADRA2A
SCHEMBL20012788 0.74 OPRM1 (0.51) OPRM1OPRD1OPRK1SMARCA2SMARCA4
SCHEMBL21405035 0.73 OPRM1 (0.41) OPRM1HTR2AHTR2CHTR2BROCK2
SCHEMBL21421850 0.71 GPR119 (0.40)
SCHEMBL6963244 0.70 HRH4 (0.46) CXCR4
SCHEMBL23205589 0.68 OPRM1 (0.45) OPRM1SMARCA2SMARCA4
SCHEMBL8565055 0.66 UHRF1 (0.43) ADRA1A
SCHEMBL22802680 0.66 KCNH2 (0.41) OPRM1HTR2AKCNH2HTR2CHTR2B

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
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed