SCHEMBL19857022

SCHEMBL19857022

CS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)NC(c3ccccc3)C(F)(F)F)c2c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 17/20 0.62
NR1I2 O75469 1/20 0.56
TACR2 P21452 5/20 0.53
TACR3 P29371 5/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN5A Q14524 1/20 0.53
OPRM1 P35372 1/20 0.48

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
SCHEMBL6900687 1.00 TRPV4 (0.62) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6899529 0.94 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480222 0.94 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19856985 0.94 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6900818 0.94 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6900369 0.94 TRPV4 (0.71) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14553188 0.94 TRPV4 (0.71) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19857025 0.93 TRPV4 (0.72) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6900367 0.93 TRPV4 (0.72) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL14480240 0.91 TRPV4 (0.58) 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
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed