SCHEMBL6016476

SCHEMBL6016476

Cc1ccccc1-c1nc(N2CCNCC2)ncc1OC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.64

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
SCHEMBL6016529 0.92 TACR1 (0.54) TACR1
SCHEMBL6016604 0.91 TACR1 (0.53) TACR1
SCHEMBL6016498 0.91 TACR1 (0.53) TACR1
SCHEMBL6016649 0.91 TACR1 (0.77) TACR1
SCHEMBL6016610 0.91 TACR1 (0.54) TACR1
SCHEMBL6016597 0.91 TACR1 (0.52) TACR1
SCHEMBL6016461 0.91 TACR1 (0.64) TACR1
SCHEMBL6016619 0.86 TACR1 (0.47) TACR1
SCHEMBL6016733 0.83 TACR1 (0.65) TACR1
SCHEMBL6016699 0.83 TACR1 (0.65) 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-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed