SCHEMBL6580649

SCHEMBL6580649

O=c1[nH]c2ccccc2n1C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.62
P2RX7 Q99572 4/20 0.52
CHRM2 P08172 4/20 0.51
CHRM1 P11229 4/20 0.51
OPRK1 P41145 4/20 0.51
CHRM4 P08173 2/20 0.51
OPRL1 P41146 2/20 0.51
CHRM3 P20309 2/20 0.50
MEN1 O00255 2/20 0.50
MLNR O43193 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
CYP2D6 P10635 2/20 0.50
DRD2 P14416 2/20 0.50
ADRA2C P18825 2/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 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
SCHEMBL6580272 0.89 OPRM1 (0.66) OPRM1CHRM2CHRM1OPRK1CHRM4
SCHEMBL1831981 0.80 OPRM1 (0.58) OPRM1CHRM2CHRM1CHRM4CHRM3
SCHEMBL1831985 0.79 OPRM1 (0.53) OPRM1OPRK1OPRL1PMP22OPRD1
SCHEMBL22716742 0.77 HSD11B1 (0.54) OPRM1CHRM2CHRM1OPRK1CHRM4
SCHEMBL319049 0.77 CHRM1 (0.70) OPRM1CHRM2CHRM1OPRK1CHRM4
SCHEMBL7961184 0.76 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1PLD1
SCHEMBL4084782 0.74 CHRM1 (0.76) OPRM1CHRM2CHRM1OPRK1CHRM4
SCHEMBL31285882 0.74 CHRM1 (0.58) OPRM1CHRM2CHRM1OPRK1CHRM4
SCHEMBL22605476 0.74 CHRM1 (0.58) OPRM1CHRM2CHRM1OPRK1CHRM4
SCHEMBL3142425 0.74 CHRM1 (0.81) OPRM1CHRM2CHRM1OPRK1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP disclosed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed