SCHEMBL18570673

SCHEMBL18570673

CC(C)c1ccc(C(F)(P)P)nc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
CHRNA7 P36544 2/20 0.35
HSD11B1 P28845 1/20 0.34
PTPN5 P54829 1/20 0.31
MLYCD O95822 2/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL19619488 0.89 TRPV4 (0.39) TRPV4CHRNA7HSD11B1PTPN5MLYCD
SCHEMBL21076643 0.85 TRPV4 (0.37) TRPV4CHRNA7HSD11B1
SCHEMBL2609310 0.84 TRPV4 (0.52) TRPV4CHRNA7HSD11B1
SCHEMBL17775982 0.82 TRPV4 (0.36) TRPV4CHRNA7HSD11B1PTPN5MLYCD
SCHEMBL17775927 0.82 TRPV4 (0.36) TRPV4CHRNA7HSD11B1PTPN5MLYCD
SCHEMBL20392645 0.81 CHRNA7 (0.35) TRPV4CHRNA7HSD11B1PTPN5MLYCD
SCHEMBL12337201 0.81 CHRNA7 (0.35) TRPV4CHRNA7HSD11B1PTPN5MLYCD
SCHEMBL20392646 0.81 CHRNA7 (0.35) TRPV4CHRNA7HSD11B1PTPN5MLYCD
SCHEMBL20390072 0.79 CHRNA7 (0.35) TRPV4CHRNA7HSD11B1PTPN5MLYCD
SCHEMBL20390073 0.79 CHRNA7 (0.35) TRPV4CHRNA7HSD11B1PTPN5MLYCD

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-2953931-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-03-01 EP disclosed