SCHEMBL6452687

SCHEMBL6452687

CCC1CCC2CC(c3ccc(C(=O)Oc4ccc(C#N)c(F)c4)cc3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
TRPA1 O75762 1/20 0.32
CYP2C9 P11712 1/20 0.32
EGLN2 Q96KS0 2/20 0.32
KDM1A O60341 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
RAB9A P51151 1/20 0.31
AOC3 Q16853 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SCN9A Q15858 1/20 0.31
NR3C2 P08235 1/20 0.31

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
SCHEMBL6452678 1.00 TRPV4 (0.35) TRPV4TRPC3TRPC6TRPA1CYP2C9
SCHEMBL6460714 0.93 CYP2C9 (0.40) TRPV4TRPC3TRPC6CYP2C9EGLN2
SCHEMBL6460711 0.93 CYP2C9 (0.40) TRPV4TRPC3TRPC6CYP2C9EGLN2
SCHEMBL6452071 0.91 RAB9A (0.35) TRPV4TRPC3TRPC6CYP2C9EGLN2
SCHEMBL6452073 0.91 RAB9A (0.35) TRPV4TRPC3TRPC6CYP2C9EGLN2
SCHEMBL6452238 0.90 RAB9A (0.35) TRPV4TRPC3TRPC6CYP2C9EGLN2
SCHEMBL6452243 0.90 RAB9A (0.35) TRPV4TRPC3TRPC6CYP2C9EGLN2
SCHEMBL7516179 0.90 CYP2C9 (0.38) TRPV4TRPC3TRPC6TRPA1CYP2C9
SCHEMBL20152468 0.90 CYP2C9 (0.38) TRPV4TRPC3TRPC6TRPA1CYP2C9
SCHEMBL8451896 0.90 CYP2C9 (0.38) TRPV4TRPC3TRPC6TRPA1CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed