SCHEMBL6016646

SCHEMBL6016646

CN1CCN(c2ncc(OC(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3cccc4ccccc34)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.63
SGMS2 Q8NHU3 3/20 0.41
BRAF P15056 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL6016597 0.92 TACR1 (0.52) TACR1SGMS2
SCHEMBL6016561 0.92 TACR1 (0.52) TACR1SGMS2BRAF
SCHEMBL6016649 0.91 TACR1 (0.77) TACR1BRAF
SCHEMBL6016699 0.91 TACR1 (0.65) TACR1BRAF
SCHEMBL6016733 0.91 TACR1 (0.65) TACR1
SCHEMBL6016428 0.90 TACR1 (0.64) TACR1SGMS2
SCHEMBL6016586 0.90 TACR1 (0.64) TACR1
SCHEMBL7042999 0.89 TACR1 (0.62) TACR1SGMS2
SCHEMBL6016533 0.87 TACR1 (0.48) TACR1
SCHEMBL6016547 0.85 TACR1 (0.57) 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