SCHEMBL11635201

SCHEMBL11635201

c1ccc2c(c1)N=C(N1CCCCC1)c1cscc1N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.54
DRD4 P21917 4/20 0.54
CHRM1 P11229 11/20 0.47
DRD3 P35462 3/20 0.47
CHRM2 P08172 6/20 0.46
CHRM4 P08173 6/20 0.46
CHRM5 P08912 6/20 0.46
CHRM3 P20309 6/20 0.46
DRD1 P21728 6/20 0.46
ADRA1D P25100 5/20 0.46
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
ADRA1A P35348 5/20 0.46
HRH1 P35367 5/20 0.46
ADRA1B P35368 5/20 0.46
HTR2B P41595 5/20 0.46
KCNH2 Q12809 5/20 0.46
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46

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
SCHEMBL11535575 0.88 DRD2 (0.60) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11631861 0.87 DRD2 (0.55) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11531378 0.87 DRD2 (0.74) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11629466 0.84 DRD2 (0.55) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11635638 0.82 HRH4 (0.62) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11536095 0.82 MEN1 (0.55) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11533334 0.80 HRH4 (0.54) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11635569 0.79 DRD2 (0.53) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11634626 0.78 DRD2 (0.51) DRD2DRD4CHRM1DRD3CHRM2
SCHEMBL11533102 0.78 KMT2A (0.57) DRD2DRD4CHRM1DRD3CHRM2

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
US-4087421-A NEUROLEPTIC, ANTI-DEPRESSANT AND ANALGESTIC ACTIVITY AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed