SCHEMBL9407828

SCHEMBL9407828

O[C@]1(c2cccs2)C[C@H](N2CCCC2)CCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
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 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
GRIN2B Q13224 3/20 0.35
KCNH2 Q12809 1/20 0.35
NOS1 P29475 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
PRCP P42785 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SLC18A3 Q16572 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
SCHEMBL9407831 1.00 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407832 1.00 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407786 0.99 CHRM3 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407804 0.99 CHRM3 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407788 0.99 CHRM3 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407790 0.99 CHRM3 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9585536 0.81 GRIN2B (0.41) HTR2AHTR2CHRH1HTR2BMAPK1
SCHEMBL9585532 0.81 GRIN2B (0.41) HTR2AHTR2CHRH1HTR2BMAPK1
SCHEMBL9407787 0.79 DRD2 (0.36) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407792 0.79 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 claimed
US-5252589-A Inhibits contraction of urinary bladder TANABE SEIKAYU CO., LTD. (JP) 1993-10-12 US claimed