Acrylonitrile

Acrylonitrile

SCHEMBL14856533

C=CC#N.COc1ccc2c(c1)CCCC2

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 9/20 0.49
▸ DRD5 P21918 8/20 0.49
▸ DRD2 P14416 8/20 0.49
▸ DRD3 P35462 8/20 0.49
▸ DRD4 P21917 5/20 0.49
▸ CHRNA7 P36544 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ STS P08842 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM1A O60341 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
SCHEMBL577378 0.84 DRD1 (0.62) DRD1DRD5DRD2DRD3DRD4
SCHEMBL30299229 0.84 DRD1 (0.62) DRD1DRD5DRD2DRD3DRD4
SCHEMBL30888625 0.82 DRD1 (0.60) DRD1DRD5DRD2DRD3DRD4
SCHEMBL20231604 0.82 DRD1 (0.60) DRD1DRD5DRD2DRD3DRD4
SCHEMBL4133301 0.82 DRD1 (0.60) DRD1DRD5DRD2DRD3DRD4
SCHEMBL1506557 0.80 DRD1 (0.62) DRD1DRD5DRD2DRD3DRD4
SCHEMBL31028084 0.80 DRD1 (0.62) DRD1DRD5DRD2DRD3DRD4
Methylene Chloride SCHEMBL29094368 0.78 DRD1 (0.55) DRD1DRD5DRD2DRD3DRD4
SCHEMBL2607471 0.76 DRD1 (0.62) DRD1DRD5DRD2DRD3DRD4
SCHEMBL7943769 0.74 CYP19A1 (0.47) ALDH1A1NPC1RAB9A

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
EP-2580183-A2 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE AND NEW CRYSTALLINE FORM GADOR S.A. (AR) 2013-04-17 — — EP disclosed
WO-2011154140-A2 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE AND NEW CRYSTALLINE FORM GADOR S.A. (AR) 2011-12-15 — — WO disclosed
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