SCHEMBL5591998

SCHEMBL5591998

COc1ccc(-c2cc(COCCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.57

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
SCHEMBL13404219 0.91 TACR1 (0.69) TACR1
SCHEMBL5592165 0.85 TACR1 (0.55) TACR1
SCHEMBL5591984 0.84 TACR1 (0.55) TACR1
SCHEMBL1388633 0.83 TACR1 (0.78) TACR1
SCHEMBL13404123 0.82 TACR1 (0.69) TACR1
Hydrochloric Acid SCHEMBL8113233 0.82 TACR1 (0.77) TACR1
SCHEMBL13404142 0.81 TACR1 (0.72) TACR1
SCHEMBL13404213 0.80 TACR1 (0.71) TACR1
SCHEMBL3589830 0.80 TACR1 (0.71) TACR1
SCHEMBL13404193 0.80 TACR1 (0.68) 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