SCHEMBL9502824

SCHEMBL9502824

Cc1c(CNCCCN2CCNCC2)cccc1OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ACHE P22303 1/20 0.41
VSIR Q9H7M9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CD274 Q9NZQ7 2/20 0.39
CYP2D6 P10635 2/20 0.38
HTR6 P50406 1/20 0.38
HIF1A Q16665 1/20 0.38
CACNA1G O43497 1/20 0.37
CYP3A4 P08684 1/20 0.36
SCN8A Q9UQD0 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
SCHEMBL10518196 0.96 BCHE (0.38) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL9502756 0.84 SLC2A1 (0.40) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL9502183 0.81 TP53 (0.47) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL9504108 0.78 TP53 (0.44) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL10516294 0.77 HTR6 (0.38) CYP2D6HTR6HIF1ACYP3A4
SCHEMBL9501482 0.77 POLB (0.39) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL9501109 0.77 TSHR (0.45) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL9501464 0.76 BCHE (0.38) BCHEACHEALDH1A1L3MBTL1CD274
SCHEMBL10516301 0.69 HTR6 (0.38) CYP2D6HTR6HIF1ACYP3A4
SCHEMBL10516286 0.69 HTR6 (0.45) CYP2D6HTR6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP disclosed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US disclosed