SCHEMBL15215465

SCHEMBL15215465

C=CCC1(CC=C)CC2C(c3ccccc3C)N(C(=C)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCN2C1=O

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.43

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
SCHEMBL17233199 0.93 TACR1 (0.49) TACR1
SCHEMBL15215513 0.90 TACR1 (0.46) TACR1
SCHEMBL15215507 0.89 TACR1 (0.45) TACR1
SCHEMBL17526408 0.89 TACR1 (0.41) TACR1
SCHEMBL15215481 0.89 TACR1 (0.43) TACR1
SCHEMBL15215468 0.88 TACR1 (0.45) TACR1
SCHEMBL15215506 0.87 TACR1 (0.44) TACR1
SCHEMBL17233215 0.87 TACR1 (0.51) TACR1
SCHEMBL18947416 0.85 TACR1 (0.46) TACR1
SCHEMBL17935786 0.85 TACR1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817312-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA AS (DK) 2016-02-17 EP disclosed
WO-2013124286-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA A/S (DK) 2013-08-29 WO disclosed