SCHEMBL11029706

SCHEMBL11029706

CCCC[C@H]1CC[C@@H]2C[C@H](c3ccccc3)CC[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6451911 1.00 DRD2 (0.40) DRD2MEN1NPC1CYP1A2GAA
SCHEMBL6451908 1.00 DRD2 (0.40) DRD2MEN1NPC1CYP1A2GAA
SCHEMBL6453962 0.95 CFTR (0.39) DRD2
SCHEMBL6453957 0.95 CFTR (0.39) DRD2
SCHEMBL6456109 0.95 CFTR (0.39) DRD2
SCHEMBL11030592 0.95 CFTR (0.39) DRD2
SCHEMBL6458242 0.94 CFTR (0.41) DRD2MEN1GAAMAPTKMT2A
SCHEMBL6458244 0.94 CFTR (0.41) DRD2MEN1GAAMAPTKMT2A
SCHEMBL6458082 0.94 CFTR (0.41) DRD2MEN1GAAMAPTKMT2A
SCHEMBL6458084 0.94 CFTR (0.41) DRD2MEN1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432885-A Decalins HOFFMANN-LA ROCHE INC. (US) 1984-02-21 US disclosed