SCHEMBL11963166

SCHEMBL11963166

CC(C)CCc1ccc(C#N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.49
DAO P14920 2/20 0.48
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
AR P10275 2/20 0.40
CYP11B1 P15538 11/20 0.40
CYP11B2 P19099 11/20 0.40
CACNA1H O95180 1/20 0.38

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
SCHEMBL8251673 0.83 TRPV4 (0.52) TRPV4DAOMAOAMAOBCYP11B1
SCHEMBL13548285 0.81 TRPV4 (0.53) TRPV4DAOMAOAMAOBKCNJ1
SCHEMBL15046515 0.79 DAO (0.42) TRPV4DAOMAOAMAOBKCNJ1
SCHEMBL6564705 0.79 TRPV4 (0.55) TRPV4DAOMAOAMAOBKCNJ1
SCHEMBL12436729 0.78 ALDH1A1 (0.45) DAOMAOAMAOB
SCHEMBL11963202 0.78 TRPV4 (0.50) TRPV4DAOKCNJ1KCNH2AR
SCHEMBL5316849 0.77 TRPV4 (0.53) TRPV4DAOMAOAMAOBKCNJ1
SCHEMBL287322 0.77 TRPV4 (0.53) TRPV4DAOMAOAMAOBKCNJ1
Hydrochloric Acid SCHEMBL28803020 0.77 TRPV4 (0.53) TRPV4DAOMAOAMAOBKCNJ1
SCHEMBL2389038 0.77 TRPV4 (0.57) TRPV4DAOMAOAMAOBCYP11B1

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-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed