SCHEMBL1388930

SCHEMBL1388930

COc1ccc(N2CCN(Cc3n[nH]c4c3Cc3ccccc3-4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.53
DRD4 P21917 2/20 0.48
KDR P35968 2/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
GFER P55789 1/20 0.46
DRD3 P35462 6/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMO Q99835 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL1388900 0.91 DRD3 (0.49) HIF1ADRD4LMNAMAPTGFER
SCHEMBL8797247 0.75 DRD4 (0.60) DRD4LMNAMAPTGFERDRD3
SCHEMBL6970245 0.72 KDR (0.72) HIF1AKDR
SCHEMBL11923385 0.70 SIGMAR1 (0.79) DRD4LMNAMAPTTSHRHSD17B10
SCHEMBL8628174 0.70 HSD17B10 (0.52) DRD4LMNAMAPTGFERDRD3
SCHEMBL8628742 0.70 DRD4 (0.53) DRD4LMNAMAPTGFERDRD3
SCHEMBL8630660 0.70 TSHR (0.52) DRD4LMNAMAPTGFERDRD3
SCHEMBL8000065 0.69 KDR (0.60) DRD4KDRLMNAMAPTDRD3
SCHEMBL8924222 0.69 MAPT (0.47) DRD4LMNAMAPTGFERDRD3
SCHEMBL29764208 0.69 HTR7 (0.74) DRD4LMNAMAPTDRD3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717733-B1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1997-12-03 EP claimed
JP-H09502199-A 1997-03-04 JP claimed
EP-0717733-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-06-26 EP claimed
WO-1995007262-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-03-16 WO claimed
EP-0717733-B1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1997-12-03 EP disclosed
US-5686480-A Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands MERCK, SHARP & DOHME, LTD. (GB) 1997-11-11 US disclosed
EP-0717733-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-06-26 EP disclosed
WO-1995007262-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-03-16 WO disclosed