SCHEMBL20003562

SCHEMBL20003562

O=S(=O)(c1ccc(F)cc1Cl)N1CC[C@](O)(CO)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 13/20 0.51
SPR P35270 1/20 0.49
TRPM8 Q7Z2W7 2/20 0.46
EPHX2 P34913 1/20 0.46
HTR2A P28223 1/20 0.46
RBP1 P09455 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.42
CCR1 P32246 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL23613871 0.88 TRPV4 (0.60) TRPV4TRPM8RBP1KCNH2
SCHEMBL20003616 0.88 TRPV4 (0.60) TRPV4TRPM8RBP1KCNH2
SCHEMBL20003518 0.88 TRPV4 (0.60) TRPV4TRPM8RBP1KCNH2
SCHEMBL23613838 0.85 TRPV4 (0.50) TRPV4TRPM8RBP1ALDH1A1LMNA
SCHEMBL20003572 0.85 TRPV4 (0.50) TRPV4TRPM8RBP1CCR1
SCHEMBL20007988 0.85 TRPV4 (0.58) TRPV4ALDH1A1
SCHEMBL20003550 0.85 TRPV4 (0.58) TRPV4ALDH1A1
SCHEMBL20003510 0.82 TRPV4 (0.61) TRPV4TRPM8
SCHEMBL20003513 0.82 TRPV4 (0.61) TRPV4TRPM8
SCHEMBL23176162 0.78 PKM (0.54) TRPV4TRPM8RBP1RAB9A

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-2018055526-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed