SCHEMBL6452801

SCHEMBL6452801

CCCCCC1CCC2CC(c3ccc(-c4ccc(OC)cc4)c(F)c3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.37
APP P05067 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD2 P14416 1/20 0.33
AVPR1B P47901 1/20 0.32
CCR2 P41597 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
RAB9A P51151 1/20 0.31
RARB P10826 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
MTOR P42345 1/20 0.31
GRM2 Q14416 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
SCHEMBL6452792 1.00 FASN (0.37) FASNAPPCYP2C19DRD2AVPR1B
SCHEMBL6459246 0.99 FASN (0.36) FASNAPPCYP2C19DRD2AVPR1B
SCHEMBL6459242 0.99 FASN (0.36) FASNAPPCYP2C19DRD2AVPR1B
SCHEMBL6456778 0.99 FASN (0.36) FASNAPPCYP2C19DRD2AVPR1B
SCHEMBL6456775 0.99 FASN (0.36) FASNAPPCYP2C19DRD2AVPR1B
SCHEMBL6461021 0.97 FASN (0.37) FASNAPPCYP2C19DRD2AVPR1B
SCHEMBL6461024 0.97 FASN (0.37) FASNAPPCYP2C19DRD2AVPR1B
SCHEMBL6453069 0.93 FASN (0.38) FASNAPPCYP2C19DRD2CCR2
SCHEMBL6453071 0.93 FASN (0.38) FASNAPPCYP2C19DRD2CCR2
SCHEMBL6451574 0.90 FASN (0.37) FASNAPPCYP2C19RARB

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