SCHEMBL20007703

SCHEMBL20007703

O=S(=O)(c1cnc(C(F)(F)F)nc1)N1CC[C@](O)(CO)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 9/20 0.43
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
GCK P35557 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HTR2A P28223 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RBP1 P09455 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL20007247 0.86 TRPV4 (0.46) TRPV4HTR2A
SCHEMBL20007241 0.80 HTR2A (0.39) TRPV4SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL20007441 0.78 POLB (0.56) TRPV4SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL20007244 0.77 TRPV4 (0.46) TRPV4GAA
SCHEMBL23613908 0.76 TRPV4 (0.44) TRPV4GCKGAAHTR2A
SCHEMBL23613906 0.76 TRPV4 (0.44) TRPV4GCKGAAHTR2A
SCHEMBL23613972 0.75 HTR2A (0.41) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL23613847 0.75 TRPV4 (0.57) TRPV4GAAHTR2A
SCHEMBL20007693 0.73 TRPV4 (0.41) TRPV4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23613990 0.73 TRPV4 (0.41) TRPV4SMN1; SMN2ALDH1A1MEN1KMT2A

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