SCHEMBL8008914

SCHEMBL8008914

Cn1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2c1-c1ccccc1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
GBA1 P04062 2/20 0.44
NAMPT P43490 1/20 0.44
KIT P10721 1/20 0.43
PDK2 Q15119 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL8011716 0.83 CKS1B (0.47) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL4876895 0.75 HRH4 (0.46) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL13302397 0.74 CHRM2 (0.53) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL21995746 0.74 NAMPT (0.50) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL18282664 0.73 SMARCA2 (0.45) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL13117217 0.71 CKS1B (0.60) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL507146 0.70 NR1H2 (0.61) NAMPTNPC1SMN1; SMN2GPR119
SCHEMBL24951551 0.69 GBA1 (0.56) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL30819461 0.69 GBA1 (0.56) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL3674036 0.69 CKS1B (0.52) SMARCA2SMARCA4PBRM1CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080745-A Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME LIMITED (GB) 2000-06-27 US disclosed
EP-0724572-B1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1998-12-16 EP disclosed
EP-0724572-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-08-07 EP disclosed
WO-1995007893-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-03-23 WO disclosed