SCHEMBL4432640

SCHEMBL4432640

O=C(OCc1ccccc1)c1cccc2[nH]nc(CCNC3CN4CCC3CC4)c12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
FLT3 P36888 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
SCHEMBL4432019 0.89 CHRNA7 (0.43) CHRNA7HTR3A
SCHEMBL1078971 0.88 CHRNA7 (0.45) CHRNA7HTR3A
SCHEMBL1078969 0.88 CHRNA7 (0.45) CHRNA7HTR3A
SCHEMBL9234393 0.86 CHRNA7 (0.47) CHRNA7HTR3ASIGMAR1
SCHEMBL9234400 0.86 CHRNA7 (0.47) CHRNA7HTR3ASIGMAR1
SCHEMBL1673067 0.85 CHRNA7 (0.43) CHRNA7HTR3A
Lithium Ion SCHEMBL1081156 0.83 CHRNA7 (0.45) CHRNA7HTR3ASIGMAR1
SCHEMBL703665 0.78 CHRNA7 (0.46) CHRNA7HTR3A
SCHEMBL703666 0.78 CHRNA7 (0.46) CHRNA7HTR3A
SCHEMBL12004860 0.78 CHRNA7 (0.42) CHRNA7HTR3ACHRM2CHRM1CHRM3

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
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed