Sugi Predict

Sugi Predict / Compounds / SCHEMBL19856979

SCHEMBL19856979

SCHEMBL19856979

CCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCCC4)CC3)c(C(=O)NC(c3ccccc3)C(F)(F)F)c2cc1S(=O)(=O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 19/20 0.76
▸ NR1I2 O75469 1/20 0.76
▸ TACR2 P21452 2/20 0.64
▸ TACR3 P29371 2/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ CACNA1C Q13936 1/20 0.64
▸ SCN5A Q14524 1/20 0.64

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
SCHEMBL14480123 1.00 TRPV4 (0.76) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480233 0.99 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6900221 0.95 TRPV4 (0.68) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2461556 0.95 TRPV4 (0.68) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480443 0.94 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6899140 0.94 TRPV4 (0.79) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480474 0.94 TRPV4 (0.79) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6897306 0.94 TRPV4 (0.74) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6898821 0.94 TRPV4 (0.76) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19856875 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