SCHEMBL6016597

SCHEMBL6016597

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Oc1cnc(N2CCNCC2)nc1-c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.52
SGMS2 Q8NHU3 2/20 0.38

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
SCHEMBL6016646 0.92 TACR1 (0.63) TACR1SGMS2
SCHEMBL6016561 0.91 TACR1 (0.52) TACR1SGMS2
SCHEMBL6016476 0.91 TACR1 (0.64) TACR1
SCHEMBL6016529 0.91 TACR1 (0.54) TACR1
SCHEMBL6016498 0.90 TACR1 (0.53) TACR1
SCHEMBL6016604 0.90 TACR1 (0.53) TACR1
SCHEMBL6016533 0.88 TACR1 (0.48) TACR1
SCHEMBL6016619 0.85 TACR1 (0.47) TACR1
SCHEMBL6016610 0.85 TACR1 (0.54) TACR1
Fumaric Acid SCHEMBL7706785 0.84 TACR1 (0.64) TACR1SGMS2

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-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed