SCHEMBL5592183

SCHEMBL5592183

CC(OCC1(c2ccccc2)CCNCC1)c1cc(C#N)ccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53

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
SCHEMBL5591968 0.90 TACR1 (0.55) TACR1
SCHEMBL5591980 0.89 TACR1 (0.45) TACR1
SCHEMBL5592184 0.80 TACR1 (0.58) TACR1
SCHEMBL5592058 0.80 TACR1 (0.45) TACR1
SCHEMBL3602413 0.80 TACR1 (0.67) TACR1
SCHEMBL3586496 0.80 TACR1 (0.67) TACR1
SCHEMBL3590830 0.80 TACR1 (0.67) TACR1
SCHEMBL12050191 0.78 TACR1 (0.57) TACR1
SCHEMBL1389109 0.74 TACR1 (0.70) TACR1
SCHEMBL14541317 0.74 TACR1 (0.70) TACR1

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-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 WO disclosed