SCHEMBL5591983

SCHEMBL5591983

N#Cc1ccc(-c2cc(CCOCC3(c4ccccc4)CCN(C(=O)O)CC3)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.67

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
SCHEMBL5592007 0.89 TACR1 (0.51) TACR1
SCHEMBL3592895 0.88 TACR1 (0.73) TACR1
SCHEMBL5592244 0.87 TACR1 (0.49) TACR1
SCHEMBL5592203 0.86 TACR1 (0.83) TACR1
SCHEMBL3587151 0.86 TACR1 (0.71) TACR1
SCHEMBL3588670 0.86 TACR1 (0.71) TACR1
SCHEMBL3590554 0.85 TACR1 (0.69) TACR1
SCHEMBL3590476 0.85 TACR1 (0.69) TACR1
SCHEMBL3597458 0.84 TACR1 (0.68) TACR1
SCHEMBL3595058 0.84 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