SCHEMBL5592060

SCHEMBL5592060

N#Cc1ccc(-c2cc(COCC3(Cc4ccc(F)cc4)CCNCC3)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.66

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
SCHEMBL5592020 0.96 TACR1 (0.70) TACR1
SCHEMBL5592003 0.89 TACR1 (0.68) TACR1
SCHEMBL5592161 0.87 TACR1 (0.61) TACR1
SCHEMBL3597911 0.86 TACR1 (0.84) TACR1
SCHEMBL5591974 0.84 TACR1 (0.62) TACR1
SCHEMBL3591116 0.81 TACR1 (0.70) TACR1
SCHEMBL14403903 0.80 TACR1 (0.69) TACR1
SCHEMBL3592506 0.80 TACR1 (0.69) TACR1
SCHEMBL3587228 0.80 TACR1 (0.86) TACR1
SCHEMBL3597741 0.79 TACR1 (1.00) 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