SCHEMBL12654670

SCHEMBL12654670

CCN1CCCN(C(=O)Nc2cc(C)nc(C)c2)c2nc(-c3cccc(Cl)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ ALPI P09923 1/20 0.34

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
SCHEMBL12654215 0.92 TP53 (0.42) CNR1TP53GAASMN1; SMN2CNR2
SCHEMBL12654429 0.90 PHGDH (0.41) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL17655384 0.90 TP53 (0.40) CNR1TP53GAASMN1; SMN2CNR2
SCHEMBL17655390 0.89 GRM5 (0.47) CNR1SMN1; SMN2CNR2KMT2AMAPT
SCHEMBL1815620 0.87 HTR2C (0.49) TP53GAASMN1; SMN2
SCHEMBL12654197 0.86 GCK (0.46) SMN1; SMN2MEN1KMT2AMAPTGRM5
SCHEMBL19670230 0.85 MEN1 (0.40) CNR1SMN1; SMN2CNR2MEN1KMT2A
SCHEMBL12654669 0.84 CNR2 (0.50) CNR1TP53GAASMN1; SMN2CNR2
SCHEMBL12654526 0.83 MPL (0.42) CNR1TP53GAASMN1; SMN2CNR2
SCHEMBL12654432 0.82 FGFR4 (0.43) CNR2MEN1KMT2AMAPTALDH1A1

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-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
Send feedback