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SCHEMBL6016505

SCHEMBL6016505

C[C@@H]1CN(c2ncc(OC(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3ccccc3Br)n2)C[C@H](C)N1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 17/20 0.48
▸ CETP P11597 1/20 0.38
▸ BCL6 P41182 2/20 0.37

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
SCHEMBL6016463 0.92 TACR1 (0.49) TACR1BCL6
SCHEMBL6016683 0.92 TACR1 (0.49) TACR1CETPBCL6
SCHEMBL6016483 0.91 TACR1 (0.48) TACR1BCL6
SCHEMBL6016533 0.90 TACR1 (0.48) TACR1
SCHEMBL6016498 0.88 TACR1 (0.53) TACR1
SCHEMBL6016428 0.87 TACR1 (0.64) TACR1
SCHEMBL6016502 0.86 TACR1 (0.53) TACR1CETP
SCHEMBL6016693 0.86 TACR1 (0.49) TACR1
SCHEMBL7706672 0.81 TACR1 (0.62) TACR1CETPBCL6
SCHEMBL6016476 0.79 TACR1 (0.64) 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