SCHEMBL4821602

SCHEMBL4821602

C[CH]CCCc1ccc(C#N)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
DAO P14920 2/20 0.46
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP11B1 P15538 12/20 0.37
CYP11B2 P19099 12/20 0.37
CYP19A1 P11511 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM1A O60341 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 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
SCHEMBL11963202 0.82 TRPV4 (0.50) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL9240972 0.81 HSD17B10 (0.49) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL6561624 0.80 TRPV4 (0.52) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL4825303 0.79 TRPV4 (0.50) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL6411198 0.79 TRPV4 (0.50) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL13548285 0.78 TRPV4 (0.53) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL10536579 0.76 DAO (0.38) TRPV4DAOKCNJ1KCNH2KDM1A
SCHEMBL6564705 0.76 TRPV4 (0.55) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL8154750 0.76 TSHR (0.51) TRPV4DAOKCNJ1CYP11B1CYP11B2
SCHEMBL7994529 0.75 TRPV4 (0.46) TRPV4DAOKCNJ1KCNH2CYP11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US claimed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US claimed
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US disclosed