SCHEMBL9407804

SCHEMBL9407804

O[C@@]1(c2cccs2)C[C@@H](N2CCCCC2)CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
GRIN2B Q13224 3/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 2/20 0.36
PRCP P42785 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NOS1 P29475 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HRH1 P35367 3/20 0.36
HTR2B P41595 3/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9407786 1.00 CHRM3 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407790 1.00 CHRM3 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407788 1.00 CHRM3 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407831 0.99 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407828 0.99 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407832 0.99 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9585536 0.80 GRIN2B (0.41) GRIN2BMEN1HTR2AHTR2CHRH1
SCHEMBL9585532 0.80 GRIN2B (0.41) GRIN2BMEN1HTR2AHTR2CHRH1
SCHEMBL9407787 0.78 DRD2 (0.36) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407792 0.78 DRD2 (0.36) CHRM3CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601249-A1 Benzocycloheptene derivative and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1994-06-15 EP disclosed
US-5252589-A Inhibits contraction of urinary bladder TANABE SEIKAYU CO., LTD. (JP) 1993-10-12 US disclosed