SCHEMBL9635182

SCHEMBL9635182

NCCC1CN(c2ccc3c(c2)CCC3)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.46
HTR6 P50406 4/20 0.46
F10 P00742 1/20 0.43
CALML3 P27482 1/20 0.42

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
SCHEMBL9447681 0.90 F10 (0.53) GRM2HTR6F10CALML3
SCHEMBL9447636 0.90 F10 (0.53) GRM2HTR6F10CALML3
SCHEMBL9447637 0.84 HTR6 (0.47) GRM2HTR6F10CALML3
SCHEMBL6194694 0.81 F10 (0.48) GRM2HTR6F10CALML3
SCHEMBL6212123 0.81 F10 (0.48) GRM2HTR6F10CALML3
SCHEMBL6191925 0.81 F10 (0.55) GRM2HTR6F10CALML3
SCHEMBL17585522 0.80 CA9 (0.46) GRM2F10CALML3
SCHEMBL9447679 0.79 HTR6 (0.43) HTR6F10CALML3
SCHEMBL9447653 0.79 HTR6 (0.43) HTR6F10CALML3
SCHEMBL592518 0.78 GRM2 (0.52) GRM2CALML3

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
US-5164510-A Bactericides THE UPJOHN COMPANY (US) 1992-11-17 US disclosed