SCHEMBL8995520

SCHEMBL8995520

Oc1ccsc1CCCSc1nsnc1-c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CYP2A6 P11509 4/20 0.35
MAPK1 P28482 2/20 0.33
CLK1 P49759 1/20 0.33
CYP2E1 P05181 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA1 P30542 1/20 0.31
EGFR P00533 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7619957 0.81 CYP3A4 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7611851 0.78 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7612078 0.77 CHRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7614598 0.77 CHRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7618429 0.76 CHRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7617688 0.76 CHRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7614458 0.75 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7465627 0.73 CHRM1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7613104 0.72 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7612811 0.67 CYP2A6 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3

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-5565475-A Method of treating urinary bladder dysfunctions with 3-tetrahydropyridine derivatives MUHLHAUSER MARK A (US) 1996-10-15 US disclosed