SCHEMBL30284064

SCHEMBL30284064

CCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)NC3(c4ccccc4)CC3)c2cc1S(C)(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.70
NR1I2 O75469 1/20 0.53
TACR2 P21452 2/20 0.50
TACR3 P29371 2/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50

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
SCHEMBL2372911 1.00 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373098 0.96 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL30284319 0.94 TRPV4 (0.68) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2399242 0.94 TRPV4 (0.68) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6845474 0.94 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL30284377 0.94 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372313 0.93 TRPV4 (0.65) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL30283834 0.93 TRPV4 (0.65) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372968 0.92 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372421 0.92 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2

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
CN-115776890-A TRPV4 inhibitors as therapeutic agents for eye diseases 拉夸里亚创药株式会社 2023-03-10 CN disclosed