SCHEMBL9602854

SCHEMBL9602854

O=C(NC1CN2CCC1CC2)ON1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.50
CHRM3 P20309 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR3A P46098 4/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46

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
SCHEMBL9601555 0.80 CHRM3 (0.55) CHRNA7CHRM3CHRM2CHRM1
SCHEMBL7265735 0.79 NPC1 (0.61) CHRNA7CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL7446453 0.78 NPC1 (0.60) CHRNA7CHRM3CHRM2CHRM1
SCHEMBL9602968 0.77 CHRM2 (0.50) CHRNA7CHRM3CHRM2CHRM1HTR3A
SCHEMBL9470813 0.77 CHRM3 (0.51) CHRNA7CHRM3CHRM2CHRM1
SCHEMBL6303943 0.75 CHRM3 (0.60) CHRNA7CHRM3CHRM2CHRM1
SCHEMBL6304740 0.75 CHRM3 (0.60) CHRNA7CHRM3CHRM2CHRM1
SCHEMBL6306861 0.75 CHRM3 (0.60) CHRNA7CHRM3CHRM2CHRM1
SCHEMBL9602248 0.74 MEN1 (0.43) HTR3A
SCHEMBL27822313 0.74 ALDH1A1 (0.47)

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-0247266-B1 INDOLE DERIVATIVES HAVING AN AZABICYCLIC SIDE CHAIN, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1993-03-10 EP claimed