SCHEMBL6583996

SCHEMBL6583996

CC1CN(Cc2ccccc2)CCC1n1c(=O)[nH]c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.67
OPRK1 P41145 1/20 0.67
OPRL1 P41146 1/20 0.67
DRD4 P21917 1/20 0.52
AKT1 P31749 3/20 0.52
AKT2 P31751 2/20 0.52
AKT3 Q9Y243 1/20 0.52
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL11214141 1.00 OPRM1 (0.67) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL8660825 1.00 OPRM1 (0.67) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL8660256 1.00 OPRM1 (0.67) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL11199617 1.00 OPRM1 (0.67) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL11223608 0.83 OPRM1 (0.86) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL4914826 0.82 OPRL1 (0.69) OPRM1OPRK1OPRL1DRD4CYP2D6
SCHEMBL6586718 0.81 OPRM1 (0.57) OPRM1OPRK1OPRL1
SCHEMBL3665096 0.81 OPRM1 (1.00) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL7289653 0.78 ACHE (0.45) OPRM1OPRK1OPRL1DRD4CYP2D6
SCHEMBL8863557 0.77 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD4AKT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed
WO-1997016192-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1997-05-09 WO disclosed
EP-0092391-A2 Novel piperidine derivatives and pharmaceutical compositions containing same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-10-26 EP disclosed