SCHEMBL9057779

SCHEMBL9057779

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.38
S1PR1 P21453 1/20 0.37
TRPV4 Q9HBA0 2/20 0.37
DAO P14920 1/20 0.36
KCNH2 Q12809 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
PLA2G7 Q13093 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL2872194 0.83 CACNA1H (0.39) CACNA1HS1PR1TRPV4DPP4DPP8
SCHEMBL29417006 0.82 DPP4 (0.41) CACNA1HS1PR1DPP4DPP8
SCHEMBL12844147 0.81 TRPV4 (0.40) S1PR1TRPV4DAODPP4DPP8
SCHEMBL1240018 0.79 TAAR1 (0.47) TRPV4DAODPP4DPP8
SCHEMBL9969447 0.78 ALDH1A1 (0.43) DAOKCNH2TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL28802791 0.77 TAAR1 (0.45) TRPV4DAODPP4DPP8
SCHEMBL27506465 0.77 TRPV4 (0.40) CACNA1HS1PR1TRPV4DAOKCNH2
SCHEMBL14719941 0.77 KDM4E (0.42) S1PR1TRPV4DAODPP4DPP8
SCHEMBL14782922 0.77 TRPV4 (0.40) CACNA1HS1PR1TRPV4DAOKCNH2
SCHEMBL8224122 0.77 CYP2A6 (0.47) CACNA1HS1PR1TRPV4DPP4DPP8

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
JP-8143491-A None JP disclosed
JP-H08143491-A NEW BENZENE DERIVATIVE AND INSECTICIDE KUMIAI CHEM IND CO LTD 1996-06-04 JP disclosed