SCHEMBL7398706

SCHEMBL7398706

Oc1cccc(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD3 P35462 1/20 0.54
CHKA P35790 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
AOC3 Q16853 2/20 0.51
OPRM1 P35372 1/20 0.49
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
PLOD2 O00469 2/20 0.46
PLOD3 O60568 2/20 0.46
PLOD1 Q02809 2/20 0.46
KHK P50053 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTR7 P34969 3/20 0.44

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
SCHEMBL9723025 0.87 DRD2 (0.68) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL7589729 0.80 ADRA2C (0.62) CHKAAOC3ADRB2NCF1PLD1
SCHEMBL17144785 0.79 MEN1 (0.60) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL29774627 0.79 MEN1 (0.60) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL7334978 0.79 CHKA (0.61) DRD2DRD3CHKAMEN1KMT2A
SCHEMBL1599836 0.79 MEN1 (0.60) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL29914690 0.79 MEN1 (0.60) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL17644142 0.79 CHKA (0.52) CHKAAOC3ADRB2NCF1PLD1
SCHEMBL18590696 0.78 CHKA (0.67) CHKAADRB2NCF1PLD1KHK
SCHEMBL12525660 0.78 AOC3 (0.57) DRD2DRD3CHKAAOC3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed