SCHEMBL20036412

SCHEMBL20036412

O=Cc1ccc2c(c1)Sc1ccccc1N=C2Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL8470 0.78 DRD2 (0.47) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL21761445 0.78 ALDH1A1 (0.46) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL15484994 0.75 RARA (0.40) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL5344836 0.73 DRD2 (0.44) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL11387022 0.72 TP53 (0.43) LMNARARARARBRXRARXRB
SCHEMBL31098228 0.71 DRD2 (0.58) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL5103571 0.70 ALDH1A1 (0.45) ALDH1A1ALDH1A3HSD17B10
SCHEMBL1568889 0.70 DRD2 (0.56) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL11505754 0.69 TRPA1 (0.41) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL22328978 0.69 RARA (0.35) DRD2LMNACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305784-A1 HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS Janssen Pharmaceutica NV (BE) 2018-04-11 EP disclosed