SCHEMBL13356604

SCHEMBL13356604

CCC1CCCN1c1nc(NCCc2ccc(OC)cc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
ACP1 P24666 3/20 0.47
APP P05067 9/20 0.46
BCHE P06276 6/20 0.46
ACHE P22303 6/20 0.46
PDE5A O76074 2/20 0.45
MERTK Q12866 2/20 0.45
DNMT3A Q9Y6K1 2/20 0.44
EHMT2 Q96KQ7 1/20 0.44
DNMT1 P26358 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL2846271 0.92 CDK1 (0.51) HRH4ACP1APPBCHEACHE
SCHEMBL3253575 0.88 CDK1 (0.48) HRH4ACP1APPBCHEACHE
SCHEMBL3642691 0.82 HRH4 (0.66) HRH4ACP1APPPDE5ALMNA
Hydrochloric Acid SCHEMBL3641028 0.81 HRH4 (0.65) HRH4ACP1PDE5ALMNAPOLB
SCHEMBL20718973 0.81 HRH4 (0.58) HRH4APPBCHEACHEPDE5A
SCHEMBL20733814 0.81 HRH4 (0.58) HRH4APPBCHEACHEPDE5A
SCHEMBL2845074 0.81 HRH4 (0.53) HRH4APPBCHEACHEPDE5A
SCHEMBL20718970 0.79 CCNE2 (0.62) HRH4APPPDE5APOLB
SCHEMBL2852678 0.79 HRH4 (0.51) HRH4APPBCHEACHEPDE5A
SCHEMBL20733875 0.78 HRH4 (0.57) HRH4APPBCHEACHEPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 WO disclosed