SCHEMBL6463449

SCHEMBL6463449

CC1CCC2CC(c3ccc(C(=O)Oc4ccc(C#N)c(F)c4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
KDM1A O60341 6/20 0.35
TRPV4 Q9HBA0 4/20 0.33
GPR119 Q8TDV5 1/20 0.33
NR3C2 P08235 1/20 0.33
FASN P49327 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL6463445 1.00 TRPC3 (0.36) TRPC3TRPC6KDM1ATRPV4GPR119
SCHEMBL12152977 0.90 KDM1A (0.38) TRPC3TRPC6KDM1ATRPV4GPR119
SCHEMBL12892553 0.90 KDM1A (0.38) TRPC3TRPC6KDM1ATRPV4GPR119
SCHEMBL6452790 0.89 TRPA1 (0.33) KDM1ATRPV4GPR119TRPA1S1PR1
SCHEMBL6452794 0.89 TRPA1 (0.33) KDM1ATRPV4GPR119TRPA1S1PR1
SCHEMBL6454642 0.88 TRPV4 (0.33) TRPC3TRPC6KDM1ATRPV4GPR119
SCHEMBL6454645 0.88 TRPV4 (0.33) TRPC3TRPC6KDM1ATRPV4GPR119
SCHEMBL6456829 0.88 FASN (0.33) KDM1AFASNALDH1A1KMT2A
SCHEMBL6456828 0.88 FASN (0.33) KDM1AFASNALDH1A1KMT2A
SCHEMBL6452687 0.88 TRPV4 (0.35) TRPC3TRPC6KDM1ATRPV4GPR119

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