SCHEMBL20007247

SCHEMBL20007247

O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@](O)(CO)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.46
NAMPT P43490 1/20 0.43
PSEN1 P49768 10/20 0.40
PSEN2 P49810 10/20 0.40
APH1B Q8WW43 10/20 0.40
NCSTN Q92542 10/20 0.40
APH1A Q96BI3 10/20 0.40
PSENEN Q9NZ42 10/20 0.40
HTR2A P28223 1/20 0.38

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
SCHEMBL23613908 0.89 TRPV4 (0.44) TRPV4NAMPTPSEN1PSEN2APH1B
SCHEMBL23613906 0.89 TRPV4 (0.44) TRPV4NAMPTPSEN1PSEN2APH1B
SCHEMBL20007703 0.86 TRPV4 (0.43) TRPV4HTR2A
SCHEMBL20007441 0.84 POLB (0.56) TRPV4NAMPT
SCHEMBL20007241 0.84 HTR2A (0.39) TRPV4HTR2A
SCHEMBL23613847 0.81 TRPV4 (0.57) TRPV4NAMPTHTR2A
SCHEMBL23613995 0.79 TRPV4 (0.42) TRPV4
SCHEMBL23613997 0.79 TRPV4 (0.42) TRPV4
SCHEMBL23613972 0.79 HTR2A (0.41) NAMPTHTR2A
SCHEMBL20007244 0.79 TRPV4 (0.46) TRPV4PSEN1PSEN2APH1BNCSTN

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
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed