SCHEMBL8208943

SCHEMBL8208943

CC1CN(C(=O)CN2CCNCC2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.65
DRD4 P21917 4/20 0.65
NOTUM Q6P988 1/20 0.57
BIRC2 Q13490 5/20 0.49
AKT1 P31749 4/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
CYP3A4 P08684 1/20 0.44
PIK3CA P42336 1/20 0.44
TP53 P04637 1/20 0.42
XIAP P98170 5/20 0.42

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
SCHEMBL7553491 0.79 DRD2 (0.83) DRD2DRD4NOTUM
SCHEMBL7552763 0.79 DRD4 (1.00) DRD2DRD4
SCHEMBL7551427 0.79 DRD2 (0.83) DRD2DRD4NOTUM
SCHEMBL7558681 0.78 DRD4 (0.81) DRD2DRD4NOTUM
SCHEMBL7555333 0.77 DRD2 (0.78) DRD2DRD4NOTUM
SCHEMBL7555293 0.77 DRD4 (0.82) DRD2DRD4NOTUM
SCHEMBL7550236 0.76 NOTUM (0.69) DRD2DRD4NOTUMAKT1PIK3CD
SCHEMBL7555846 0.76 DRD2 (0.77) DRD2DRD4NOTUM
SCHEMBL20957045 0.74 MAPK1 (0.63) DRD2DRD4NOTUM
SCHEMBL14294095 0.74 NOTUM (1.00) DRD2DRD4NOTUMAKT1PIK3CD

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
WO-2000076967-A1 BENZYLPIPERAZINYL-INDOLINYLETHANONES NEUROGEN CORPORATION (US) 2000-12-21 WO disclosed