SCHEMBL9511532

SCHEMBL9511532

c1ccc(C2CN=C3CCCN3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
GBA1 P04062 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4057813 0.74 HRH3 (0.38) SLC18A3DRD2DRD1DRD4DRD5
SCHEMBL10376372 0.73 ALPL (0.51) SLC18A3DRD1BCHEACHEMEN1
SCHEMBL22795083 0.73 DRD2 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22795431 0.73 DRD2 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22795444 0.73 DRD2 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10376432 0.70 CHRNB2 (0.40) SLC18A3BCHEACHEMEN1KMT2A
SCHEMBL21498224 0.70 CYP1A2 (0.59) SLC18A3DRD1HRH3MEN1ALDH1A1
SCHEMBL10377977 0.69 ALPL (0.50) DRD1BCHEACHEALDH1A1LMNA
SCHEMBL809635 0.68 INMT (0.39) USP2
SCHEMBL6859068 0.68 INMT (0.39) CHRM3USP2

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
EP-0301638-B1 Improved process for producing n-alkyl-carbamates ENICHEM SINTESI (IT) 1993-12-08 EP claimed