SCHEMBL7159673

SCHEMBL7159673

C[C@H]1CC[C@H](NC(=O)C2CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
POLB P06746 1/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 3/20 0.55
EPHX1 P07099 1/20 0.55
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
EPHX2 P34913 1/20 0.49
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
ADRA2A P08913 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL14985440 1.00 MAPK1 (0.60) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL15431468 1.00 MAPK1 (0.60) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL17133529 1.00 MAPK1 (0.60) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL15199105 1.00 MAPK1 (0.60) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL7159674 1.00 MAPK1 (0.60) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL517408 1.00 MAPK1 (0.60) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL15199102 0.91 MAPK1 (0.61) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL8260849 0.90 MAPK1 (0.69) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL12153733 0.90 MAPK1 (0.69) MAPK1POLBNPC1RAB9AALDH1A1
SCHEMBL13698837 0.90 MAPK1 (0.69) MAPK1POLBNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-1362039-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2003-11-19 EP disclosed
WO-2002066446-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed