SCHEMBL1389022

SCHEMBL1389022

c1ccc(CN2CCN(Cc3n[nH]c4c3CCc3ccccc3-4)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
DRD4 P21917 1/20 0.48
SIGMAR1 Q99720 9/20 0.46
HTR1A P08908 2/20 0.45
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
MC4R P32245 1/20 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
SCHEMBL8000470 0.85 DRD4 (0.66) KDRDRD4SIGMAR1HTR1ADRD2
SCHEMBL1388929 0.84 PARP1 (0.49) KDRDRD4DRD2
SCHEMBL1389143 0.84 CD44 (0.49) KDRDRD4HTR1ADRD2
SCHEMBL1388893 0.82 DRD4 (0.41) KDRDRD4SIGMAR1HTR1ADRD2
SCHEMBL1388359 0.82 KDR (0.47) KDRDRD4SIGMAR1HTR1ADRD2
SCHEMBL1388880 0.81 DRD4 (0.45) KDRDRD4HTR1ADRD2
SCHEMBL1388980 0.80 DRD4 (0.48) KDRDRD4SIGMAR1HTR1ADRD2
SCHEMBL1388946 0.79 HRH3 (0.49) DRD4HTR1ADRD2HTR2C
SCHEMBL1388900 0.79 DRD3 (0.49) DRD4DRD2
SCHEMBL1388902 0.78 HTR3A (0.47) KDRDRD4DRD2

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 9 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
US-5686480-A Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands MERCK, SHARP & DOHME, LTD. (GB) 1997-11-11 US 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