SCHEMBL11037133

SCHEMBL11037133

O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CC2=NOC(c3ccccc3)C2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.66
OPRM1 P35372 9/20 0.65
HTR1A P08908 3/20 0.56
DRD2 P14416 3/20 0.56
HTR2A P28223 3/20 0.56
SLC6A4 P31645 3/20 0.56
DRD3 P35462 3/20 0.56
ADRA2A P08913 2/20 0.56
HRH1 P35367 2/20 0.54
HTR2B P41595 2/20 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
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 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
SCHEMBL11038789 0.95 OPRM1 (0.61) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11053770 0.94 OPRM1 (0.61) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11038937 0.91 OPRM1 (0.58) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11159626 0.90 OPRM1 (0.68) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11038979 0.89 OPRM1 (0.62) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11037100 0.89 CHRM1 (0.52) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11037976 0.89 OPRM1 (0.58) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11039285 0.89 OPRM1 (0.63) CHRM1OPRM1DRD2DRD3CYP2D6
SCHEMBL11036223 0.88 OPRM1 (0.61) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11323530 0.87 OPRM1 (0.61) CHRM1OPRM1HTR1ADRD2HTR2A

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-0040639-B1 ISOXAZOLE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1984-05-30 EP disclosed
US-4397853-A PSYCHOTROPIC, ANTIEMETIC YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1983-08-09 US disclosed
EP-0040639-A1 ISOXAZOLE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1981-12-02 EP disclosed