SCHEMBL8940524

SCHEMBL8940524

CC1(C(=O)N2CCCNC2=O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CYP2D6 P10635 6/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.45
CYP2C19 P33261 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
OPRL1 P41146 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM3 P20309 1/20 0.43
CYP3A4 P08684 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 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
SCHEMBL6160862 0.78 OPRL1 (0.50) DRD2CYP2D6ALDH1A1TSHRCYP2C19
SCHEMBL1269458 0.76 CYP2D6 (0.61) DRD2DRD4DRD3CYP2D6ALDH1A1
SCHEMBL14716240 0.74 CYP2D6 (0.63) DRD2DRD4DRD3CYP2D6ALDH1A1
SCHEMBL4828466 0.73 OPRL1 (0.48) DRD2CYP2D6ALDH1A1TSHRCYP2C19
SCHEMBL14081425 0.71 CYP2D6 (0.56) DRD2DRD4DRD3CYP2D6ALDH1A1
SCHEMBL15505949 0.71 HDAC1 (0.58) DRD2DRD4DRD3CYP2D6ALDH1A1
SCHEMBL653329 0.71 OPRL1 (0.67) CYP2D6ALDH1A1TSHRCYP2C19KMT2A
SCHEMBL4293243 0.71 DRD2 (0.55) DRD2DRD4DRD3CYP2D6ALDH1A1
SCHEMBL17608847 0.70 LTA4H (0.62) DRD2CYP2D6ALDH1A1TSHRCYP2C19
SCHEMBL2086353 0.69 MEN1 (0.51) DRD2CYP2D6ALDH1A1TSHRCYP2C19

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
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed