SCHEMBL7948472

SCHEMBL7948472

COC1(N)CCC(OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.58
OPRM1 P35372 2/20 0.58
OPRL1 P41146 2/20 0.58
SIGMAR1 Q99720 2/20 0.46
CARM1 Q86X55 3/20 0.46
PRMT6 Q96LA8 3/20 0.46
PRMT8 Q9NR22 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
EPHX2 P34913 1/20 0.39
PRMT3 O60678 1/20 0.37

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
SCHEMBL1551250 0.84 OPRM1 (0.61) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL1551563 0.78 OPRM1 (0.55) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL22488577 0.78 OPRM1 (0.61) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL1550881 0.77 OPRM1 (0.51) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL6469380 0.77 OPRM1 (0.59) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL7926366 0.77 DPP4 (0.57) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL19388482 0.77 OPRM1 (0.60) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL17112355 0.76 OPRM1 (0.55) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL14451368 0.76 DPP4 (0.68) DPP4OPRM1OPRL1SIGMAR1CARM1
SCHEMBL18759587 0.76 OPRM1 (0.60) DPP4OPRM1OPRL1SIGMAR1CARM1

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-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed