SCHEMBL5751838

SCHEMBL5751838

O=C1CCc2cccc(C(O)CN3CCC(O)(c4cccc(F)c4)CC3)c2N1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.69
OPRL1 P41146 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR1 P32246 1/20 0.39
GRIN2B Q13224 3/20 0.38
DRD2 P14416 2/20 0.36

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
SCHEMBL2599445 0.82 KCNH2 (1.00) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL877343 0.82 KCNH2 (1.00) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL120402 0.82 KCNH2 (1.00) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5751337 0.78 KCNH2 (0.90) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5751334 0.78 KCNH2 (0.90) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5753988 0.78 KCNH2 (0.90) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL11068676 0.77 KCNH2 (0.53) KCNH2CCR1DRD2
SCHEMBL5753760 0.77 KCNH2 (0.62) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5460383 0.75 KCNH2 (0.54) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5468540 0.74 KCNH2 (0.53) KCNH2OPRL1OPRM1OPRD1OPRK1

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-2175728-B1 SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2014-09-10 EP claimed
EP-1499606-B1 3, 4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER (US) 2006-05-03 EP claimed