SCHEMBL31504306

SCHEMBL31504306

CC1(C)CCC(C)(c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRL1 P41146 2/20 0.40
OPRK1 P41145 1/20 0.40
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PNMT P11086 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL6544207 0.89 OPRM1 (0.44) HTR2AOPRM1OPRL1OPRK1MMP2
SCHEMBL31504290 0.88 HTR2A (0.38) HTR2AOPRM1OPRL1OPRK1MMP2
SCHEMBL9407936 0.80 OPRM1 (0.41) HTR2AOPRM1OPRL1OPRK1MMP2
SCHEMBL1071202 0.77 HTR2A (0.41) HTR2AOPRM1OPRL1OPRK1MMP2
SCHEMBL1802503 0.72 MMP2 (0.40) OPRM1OPRL1MMP2MMP9KDM4E
SCHEMBL15995119 0.68 OPRM1 (0.42) HTR2AOPRM1OPRL1OPRK1MAOA
SCHEMBL21312268 0.68 OPRM1 (0.42) HTR2AOPRM1OPRL1OPRK1MAOA
SCHEMBL15995122 0.68 OPRM1 (0.42) HTR2AOPRM1OPRL1OPRK1MAOA
SCHEMBL22444801 0.67 OPRM1 (0.38) HTR2AOPRM1OPRL1OPRK1MMP2
SCHEMBL22444908 0.67 OPRM1 (0.38) HTR2AOPRM1OPRL1OPRK1MMP2

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-2025089237-A1 ADHESIVE COMPOSITION, CONNECTION STRUCTURE, AND METHOD FOR PRODUCING CONNECTION STRUCTURE 株式会社レゾナック 2025-05-01 WO disclosed