SCHEMBL7305940

SCHEMBL7305940

Cc1cn(C(=O)CC2CC3CCC(C2)N3C)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.45
CHRM3 P20309 5/20 0.43
CHRM2 P08172 4/20 0.43
CHRM1 P11229 4/20 0.43
HTR3A P46098 9/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
Hydrochloric Acid SCHEMBL7303177 0.99 TFPI2 (0.44) TFPI2CHRM3CHRM2CHRM1HTR3A
SCHEMBL7267718 0.78 ALDH1A1 (0.55) HTR3AALDH1A1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL7443261 0.77 ALDH1A1 (0.54) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL4917433 0.72 HTR3E (0.56) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL4917429 0.72 HTR3E (0.56) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL3779323 0.71 CHRM3 (0.49) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL13134299 0.71 CHRM3 (0.49) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL9601383 0.70 ALDH1A1 (0.54) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27887683 0.69 TFPI2 (0.51) TFPI2ALDH1A1MEN1KMT2A
SCHEMBL10567044 0.68 CHRM3 (0.43) CHRM3CHRM2CHRM1HTR3AHTR3E

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
EP-0403882-A2 Indole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-27 EP disclosed