SCHEMBL6872159

SCHEMBL6872159

CN1CCN(Cc2ncc(-c3ccccc3Cl)c(OC(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.49
TACR3 P29371 2/20 0.40
GPBAR1 Q8TDU6 2/20 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
SCHEMBL6868287 0.88 TACR1 (0.63) TACR1TACR3GPBAR1
SCHEMBL6871465 0.82 TACR1 (0.49) TACR1TACR3GPBAR1
SCHEMBL6871717 0.82 TACR1 (0.46) TACR1TACR3GPBAR1
SCHEMBL6869431 0.80 TACR1 (0.52) TACR1TACR3GPBAR1
SCHEMBL6869732 0.79 TACR1 (0.52) TACR1TACR3GPBAR1
SCHEMBL6016586 0.78 TACR1 (0.64) TACR1
SCHEMBL7042999 0.78 TACR1 (0.62) TACR1
SCHEMBL6873362 0.77 TACR1 (0.51) TACR1TACR3GPBAR1
SCHEMBL6870073 0.76 TACR1 (0.61) TACR1GPBAR1
SCHEMBL6862358 0.76 TACR1 (0.72) TACR1TACR3

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-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 EP claimed