SCHEMBL17655390

SCHEMBL17655390

CCN1CCCN(C(=O)Nc2cccc(C)n2)c2nc(-c3cccc(Cl)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.47
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL12654429 0.92 PHGDH (0.41) GRM5ALDH1A1RAB9ANPC1HPGD
SCHEMBL12654669 0.89 CNR2 (0.50) GRM5ALDH1A1SMN1; SMN2CNR2KMT2A
SCHEMBL12654670 0.89 CNR1 (0.38) GRM5MAPTALDH1A1SMN1; SMN2CNR2
SCHEMBL12654197 0.86 GCK (0.46) GRM5MAPTLMNARAB9ASMN1; SMN2
SCHEMBL12654215 0.86 TP53 (0.42) MAPTALDH1A1SMN1; SMN2L3MBTL1CNR2
SCHEMBL12654526 0.86 MPL (0.42) GRM5SMN1; SMN2CNR2CNR1
SCHEMBL17655384 0.85 TP53 (0.40) GRM5MAPTSMN1; SMN2L3MBTL1CNR2
SCHEMBL12654432 0.85 FGFR4 (0.43) GRM5MAPTALDH1A1CNR2KMT2A
SCHEMBL17655454 0.85 GRM5 (0.43) GRM5MAPTALDH1A1RAB9AL3MBTL1
SCHEMBL19670230 0.84 MEN1 (0.40) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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 3 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
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