SCHEMBL6016529

SCHEMBL6016529

COc1ccccc1-c1nc(N2CCNCC2)ncc1OC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.54
CETP P11597 3/20 0.46
GPBAR1 Q8TDU6 1/20 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
SCHEMBL6016476 0.92 TACR1 (0.64) TACR1
SCHEMBL6016604 0.91 TACR1 (0.53) TACR1
SCHEMBL6016498 0.91 TACR1 (0.53) TACR1
SCHEMBL6016699 0.91 TACR1 (0.65) TACR1CETPGPBAR1
SCHEMBL6016597 0.91 TACR1 (0.52) TACR1
SCHEMBL6016612 0.91 TACR1 (0.54) TACR1CETPGPBAR1
SCHEMBL6016619 0.88 TACR1 (0.47) TACR1
SCHEMBL6016683 0.88 TACR1 (0.49) TACR1CETPGPBAR1
SCHEMBL6016610 0.88 TACR1 (0.54) TACR1
SCHEMBL6016733 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