SCHEMBL7704079

SCHEMBL7704079

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc(N2CCNCC2)nc1-c1ccccc1Br

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.69

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
SCHEMBL6016498 0.87 TACR1 (0.53) TACR1
Fumaric Acid SCHEMBL7706785 0.86 TACR1 (0.64) TACR1
SCHEMBL17476477 0.81 TACR1 (0.83) TACR1
SCHEMBL6016476 0.78 TACR1 (0.64) TACR1
SCHEMBL7707100 0.78 TACR1 (0.64) TACR1
SCHEMBL6016428 0.78 TACR1 (0.64) TACR1
SCHEMBL6016529 0.78 TACR1 (0.54) TACR1
SCHEMBL6016604 0.78 TACR1 (0.53) TACR1
SCHEMBL6016502 0.78 TACR1 (0.53) TACR1
SCHEMBL905361 0.78 TACR1 (0.83) 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-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed