SCHEMBL10465124

SCHEMBL10465124

O=c1[nH]c2cc(Cl)ccc2n1C1CCN(Cc2ccnc(-c3ccccc3)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.70
OPRM1 P35372 8/20 0.63
OPRK1 P41145 2/20 0.58
OPRL1 P41146 1/20 0.58
DRD2 P14416 4/20 0.56
DRD3 P35462 3/20 0.56
CTSS P25774 2/20 0.56
HTR1A P08908 2/20 0.56
ADRA2A P08913 2/20 0.56
HTR2A P28223 2/20 0.56
SLC6A4 P31645 2/20 0.56
DRD4 P21917 2/20 0.55
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
AKT3 Q9Y243 1/20 0.54
MEN1 O00255 1/20 0.54
SLC22A2 O15244 1/20 0.54
NR1I2 O75469 1/20 0.54
GMNN O75496 1/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL10373792 0.94 CHRM1 (0.64) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL10373947 0.91 CHRM1 (0.60) CHRM1OPRM1DRD2DRD3CTSS
SCHEMBL10372779 0.90 OPRM1 (0.73) CHRM1OPRM1OPRK1OPRL1AKT1
SCHEMBL10373206 0.90 OPRM1 (0.69) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL10374306 0.89 OPRM1 (0.61) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL10373489 0.88 OPRM1 (0.59) CHRM1OPRM1DRD2DRD3CTSS
SCHEMBL6161133 0.86 CHRM1 (0.92) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL10465105 0.84 CHRM1 (0.66) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL10373160 0.83 OPRM1 (0.58) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL10371706 0.83 CHRM1 (0.66) CHRM1OPRM1OPRK1DRD2DRD3

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
US-4906642-A Pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-03-06 US disclosed
EP-0237908-A2 Pyridine derivatives MERCK PATENT GmbH (DE) 1987-09-23 EP disclosed