SCHEMBL9602568

SCHEMBL9602568

O=C(O)C1CCC(C(=O)NCCCCN2CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
GNAI3 P08754 3/20 0.44
GNAO1 P09471 3/20 0.44
GNAI1 P63096 3/20 0.44
DRD3 P35462 9/20 0.43
DRD2 P14416 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRA1A P35348 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 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
SCHEMBL14761832 0.82 DRD2 (0.57) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL22071882 0.78 HSD17B10 (0.54) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL14761461 0.78 SMN1; SMN2 (0.56) ITGB3ITGA2BGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL9602156 0.77 CYP2D6 (0.60) DRD3DRD2SMN1; SMN2MEN1KMT2A
SCHEMBL3954077 0.77 HSD17B10 (0.47) DRD3DRD2SMN1; SMN2MEN1KMT2A
SCHEMBL23673763 0.75 CXCR4 (0.49) DRD3DRD2MEN1KMT2A
SCHEMBL7281937 0.73 SIGMAR1 (0.42) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL22064074 0.73 ITGB3 (0.56) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL22071884 0.73 ITGB3 (0.43) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL15305135 0.72 MEN1 (0.49) ITGB3ITGA2BGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP disclosed
EP-0309544-A1 PSYCHOTROPIC BICYCLIC IMIDES. AMERICAN HOME PROD (US) 1989-04-05 EP disclosed
WO-1988007530-A1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed