SCHEMBL7707100

SCHEMBL7707100

C[C@@H]1CN(c2ncc(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3ccccc3F)n2)C[C@H](C)N1

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
SCHEMBL7706672 0.91 TACR1 (0.62) TACR1
SCHEMBL6016463 0.88 TACR1 (0.49) TACR1
SCHEMBL6016683 0.80 TACR1 (0.49) TACR1
SCHEMBL6016505 0.79 TACR1 (0.48) TACR1
SCHEMBL6016483 0.79 TACR1 (0.48) TACR1
SCHEMBL6016533 0.79 TACR1 (0.48) TACR1
SCHEMBL7704079 0.78 TACR1 (0.69) TACR1
SCHEMBL7709573 0.78 TACR1 (0.55) TACR1
SCHEMBL4126105 0.78 PTPN11 (0.43)
SCHEMBL4126108 0.78 PTPN11 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed