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SCHEMBL19856875

SCHEMBL19856875

CC(C)S(=O)(=O)c1cc2c(C(=O)NC(c3ccccc3)C(F)(F)F)c(CN3CCC(N4CCCCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 19/20 0.76
▸ NR1I2 O75469 1/20 0.71
▸ TACR2 P21452 2/20 0.68
▸ TACR3 P29371 2/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ CACNA1C Q13936 1/20 0.68
▸ SCN5A Q14524 1/20 0.68

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
SCHEMBL6900028 1.00 TRPV4 (0.76) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6897598 0.95 TRPV4 (0.79) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6900033 0.94 TRPV4 (0.69) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480310 0.94 TRPV4 (0.78) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6897316 0.93 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6898821 0.92 TRPV4 (0.76) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480233 0.91 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480236 0.90 TRPV4 (0.80) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6898878 0.90 TRPV4 (0.80) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19856979 0.90 TRPV4 (0.76) 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