SCHEMBL6461165

SCHEMBL6461165

CCCCCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(OC)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR1 P34998 1/20 0.31
DRD2 P14416 1/20 0.31
MGLL Q99685 5/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CCR2 P41597 3/20 0.30
KMT2A Q03164 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
SCHEMBL6451910 1.00 GRM2 (0.33) GRM2GAAMAPTRAB9ACRHR1
SCHEMBL6451906 1.00 GRM2 (0.33) GRM2GAAMAPTRAB9ACRHR1
SCHEMBL6461170 1.00 GRM2 (0.33) GRM2GAAMAPTRAB9ACRHR1
SCHEMBL6452248 0.99 RAB9A (0.32) GRM2GAAMAPTRAB9ACRHR1
SCHEMBL6452246 0.99 RAB9A (0.32) GRM2GAAMAPTRAB9ACRHR1
SCHEMBL6460297 0.96 RAB9A (0.33) RAB9ACRHR1DRD2CNR1CNR2
SCHEMBL6460302 0.96 RAB9A (0.33) RAB9ACRHR1DRD2CNR1CNR2
SCHEMBL6464218 0.92 DRD2 (0.33) CRHR1DRD2CCNB2CDK1CCNB1
SCHEMBL6464222 0.92 DRD2 (0.33) CRHR1DRD2CCNB2CDK1CCNB1
SCHEMBL6458881 0.89 PTGS1 (0.34) GRM2GAAMAPTKMT2A

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