SCHEMBL11037100

SCHEMBL11037100

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.52
OPRM1 P35372 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
SLC6A4 P31645 3/20 0.42
DRD3 P35462 3/20 0.42
ADRA2A P08913 2/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
DRD4 P21917 1/20 0.42
HTR7 P34969 1/20 0.42
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
CTSS P25774 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
SLC22A2 O15244 1/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL11037133 0.89 CHRM1 (0.66) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11038789 0.84 OPRM1 (0.61) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11053770 0.83 OPRM1 (0.61) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11036225 0.82 CHRM1 (0.42) CHRM1OPRM1SMN1; SMN2HTR1ADRD2
SCHEMBL11038937 0.81 OPRM1 (0.58) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11159626 0.79 OPRM1 (0.68) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11037976 0.79 OPRM1 (0.58) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11038979 0.79 OPRM1 (0.62) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11036223 0.78 OPRM1 (0.61) CHRM1OPRM1HTR1ADRD2HTR2A
SCHEMBL11039285 0.78 OPRM1 (0.63) CHRM1OPRM1DRD2DRD3DRD4

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