SCHEMBL7399044

SCHEMBL7399044

Cc1cc(N2CCN(Cc3ccccc3)CC2)cc(C)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.65
NCF1 P14598 1/20 0.64
TSHR P16473 2/20 0.61
HTT P42858 1/20 0.61
POLB P06746 2/20 0.59
SIGMAR1 Q99720 1/20 0.56
DRD2 P14416 3/20 0.56
DRD3 P35462 2/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CASP1 P29466 2/20 0.54
CASP5 P51878 1/20 0.54
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL3448210 0.84 DRD4 (0.59) DRD4NCF1TSHRHTTPOLB
SCHEMBL13173988 0.81 MAPT (0.61) DRD4TSHRHTTPOLBDRD2
SCHEMBL6031812 0.79 DRD4 (1.00) DRD4HTTSIGMAR1DRD2DRD3
SCHEMBL20847693 0.79 DRD4 (0.61) DRD4NCF1POLBSIGMAR1DRD2
SCHEMBL12385909 0.79 DRD4 (0.77) DRD4POLBSIGMAR1DRD2DRD3
SCHEMBL11531669 0.78 DRD4 (0.69) DRD4HTTSIGMAR1DRD2DRD3
SCHEMBL12192096 0.77 DRD4 (0.51) DRD4NCF1POLBDRD2DRD3
SCHEMBL8092355 0.77 DRD4 (0.65) DRD4POLBSIGMAR1DRD2DRD3
SCHEMBL23860777 0.77 DRD4 (0.58) DRD4SIGMAR1DRD2DRD3LMNA
SCHEMBL28751367 0.77 DRD4 (0.58) DRD4TSHRPOLBSIGMAR1DRD2

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