SCHEMBL15215451

SCHEMBL15215451

C=C(N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN2C(=O)C(C)(C(=O)OC)CC2C1c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.45

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
SCHEMBL17233086 0.93 TACR1 (0.52) TACR1
SCHEMBL15215549 0.86 TACR1 (0.53) TACR1
SCHEMBL17526388 0.85 TACR1 (0.42) TACR1
SCHEMBL15215465 0.84 TACR1 (0.43) TACR1
SCHEMBL15212930 0.84 TACR1 (0.51) TACR1
SCHEMBL17243758 0.83 TACR1 (0.51) TACR1
SCHEMBL17526408 0.82 TACR1 (0.41) TACR1
SCHEMBL17509668 0.80 TACR1 (0.50) TACR1
SCHEMBL17233199 0.79 TACR1 (0.49) TACR1
SCHEMBL17243761 0.78 TACR1 (0.50) 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-2013124286-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA A/S (DK) 2013-08-29 WO disclosed