SCHEMBL17526408

SCHEMBL17526408

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

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.41

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
SCHEMBL15215465 0.89 TACR1 (0.43) TACR1
SCHEMBL15212609 0.89 TACR1 (0.51) TACR1
SCHEMBL17243748 0.89 TACR1 (0.51) TACR1
SCHEMBL15215578 0.85 TACR1 (0.47) TACR1
SCHEMBL15215538 0.84 TACR1 (0.47) TACR1
SCHEMBL15215516 0.84 TACR1 (0.44) TACR1
SCHEMBL15215539 0.84 TACR1 (0.46) TACR1
SCHEMBL17526388 0.84 TACR1 (0.42) TACR1
SCHEMBL15215596 0.83 TACR1 (0.46) TACR1
SCHEMBL15215451 0.82 TACR1 (0.45) 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
EP-2817312-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA AS (DK) 2016-02-17 EP disclosed