SCHEMBL14434370

SCHEMBL14434370

CSc1nc(CI)c(C(=O)N(CCCN)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(CI)n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 12/20 0.37
▸ GPBAR1 Q8TDU6 7/20 0.34

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
Hydrochloric Acid SCHEMBL5235535 0.85 TACR1 (0.38) TACR1GPBAR1
SCHEMBL14514048 0.71 TACR1 (0.44) TACR1GPBAR1
SCHEMBL5227594 0.70 CACNA1H (0.37) TACR1GPBAR1
SCHEMBL5228959 0.67 CACNA1H (0.38) TACR1GPBAR1
SCHEMBL5528489 0.62 GPBAR1 (0.42) TACR1GPBAR1
SCHEMBL7522146 0.61 TACR1 (0.60) TACR1GPBAR1
SCHEMBL13891736 0.61 RAF1 (0.43) TACR1
SCHEMBL14433651 0.60 PPARG (0.44) —
SCHEMBL6991745 0.60 TACR1 (0.57) TACR1GPBAR1
SCHEMBL19285672 0.60 CES2 (0.50) TACR1GPBAR1

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-1496059-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2007-08-15 — — EP disclosed
Send feedback