SCHEMBL14865365

SCHEMBL14865365

NCc1ccc(/C=C\c2c(F)cc(Br)cc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
NFE2L2 Q16236 3/20 0.32
MAT2A P31153 1/20 0.32
GBA1 P04062 1/20 0.30

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
SCHEMBL185565 0.72 STK17A (0.34)
SCHEMBL31212827 0.63
SCHEMBL668445 0.63
SCHEMBL23603879 0.62 NMT1 (0.32)
SCHEMBL19209562 0.62 MEN1 (0.37)
SCHEMBL20659323 0.62 TAAR1 (0.34)
SCHEMBL30975524 0.62 MEN1 (0.37)
SCHEMBL28189536 0.62 MAPT (0.32)
Hydrochloric Acid SCHEMBL249520 0.61 GBA1 (0.44) GBA1
Hydrochloric Acid SCHEMBL30786192 0.61 GBA1 (0.44) GBA1

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed