SCHEMBL6458359

SCHEMBL6458359

CCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)C(F)F)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 2/20 0.31
MAOB P27338 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CETP P11597 1/20 0.31
RAB9A P51151 1/20 0.31
RCOR1 Q9UKL0 1/20 0.30
SCN9A Q15858 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
SCHEMBL6458365 1.00 TRPV1 (0.33) TRPV1L3MBTL1MMP13MMP14KCNH2
SCHEMBL6453009 0.91 CYP2C9 (0.38) TRPV1L3MBTL1MMP13MMP14KCNH2
SCHEMBL6452998 0.91 CYP2C9 (0.38) TRPV1L3MBTL1MMP13MMP14KCNH2
SCHEMBL6451156 0.89 L3MBTL1 (0.40) L3MBTL1KDM1AMAOBHRH3RCOR1
SCHEMBL6451154 0.89 L3MBTL1 (0.40) L3MBTL1KDM1AMAOBHRH3RCOR1
SCHEMBL6453257 0.89 RAB9A (0.35) RAB9A
SCHEMBL6453261 0.89 RAB9A (0.35) RAB9A
SCHEMBL6453867 0.88 RAB9A (0.34) RAB9A
SCHEMBL6453872 0.88 RAB9A (0.34) RAB9A
SCHEMBL6453790 0.88 SCN9A (0.36) TRPV1CETPSCN9A

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