SCHEMBL17112355

SCHEMBL17112355

COC1CCC(OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.55
OPRL1 P41146 2/20 0.55
CARM1 Q86X55 3/20 0.53
PRMT6 Q96LA8 3/20 0.53
SIGMAR1 Q99720 2/20 0.53
PRMT8 Q9NR22 2/20 0.53
TMEM97 Q5BJF2 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
DPP4 P27487 2/20 0.51
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
EPHX2 P34913 1/20 0.44
PRMT3 O60678 1/20 0.42

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
SCHEMBL6469380 0.90 OPRM1 (0.59) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL18361624 0.86 OPRM1 (0.57) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL17338904 0.85 CTSL (0.49) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL19830880 0.85 CTSL (0.49) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL18762235 0.85 CTSL (0.49) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL2668584 0.85 OPRM1 (0.55) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL10052775 0.85 OPRM1 (0.55) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL3827609 0.84 OPRM1 (0.54) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL6108529 0.84 OPRM1 (0.54) OPRM1OPRL1CARM1PRMT6SIGMAR1
SCHEMBL15797812 0.84 OPRM1 (0.54) OPRM1OPRL1CARM1PRMT6SIGMAR1

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-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 WO disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed