SCHEMBL1383288

SCHEMBL1383288

O=C(NCc1cc2ccccc2[nH]1)c1ccccc1N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
METTL3 Q86U44 1/20 0.47
METTL14 Q9HCE5 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SSTR3 P32745 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LIPG Q9Y5X9 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD4 P21917 1/20 0.42
IDO1 P14902 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
SCHEMBL23708473 0.75 KMT2A (0.62) NPC1KDM4EALDH1A1
SCHEMBL5785504 0.73 SSTR3 (0.60) NPC1RAB9AMETTL3METTL14KDM4E
SCHEMBL1382509 0.72 L3MBTL1 (0.55) NPC1RAB9AMETTL3METTL14KDM4E
SCHEMBL3560619 0.72 IDO1 (0.58) NPC1RAB9AMETTL3METTL14KDM4E
SCHEMBL13415981 0.70 MTNR1A (0.73) NPC1RAB9AMETTL3METTL14KDM4E
SCHEMBL11292300 0.70 HPGD (0.55) NPC1RAB9AKDM4ELIPGALDH1A1
SCHEMBL1383289 0.70 NPC1 (0.44) NPC1KDM4EHSD17B10HRH3CCKAR
SCHEMBL19667087 0.69 NPC1 (0.51) NPC1KDM4ELIPGALDH1A1DRD2
SCHEMBL11500066 0.69 HPGD (0.56) NPC1RAB9ALIPGALDH1A1DRD2
SCHEMBL11856052 0.68 LOXL2 (0.56) METTL3METTL14KDM4EHSD17B10MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4831907-B2 2011-12-07 JP claimed
EP-1225894-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP claimed
EP-1225894-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP claimed
WO-2001026652-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO claimed
EP-1225894-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1225894-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP disclosed
WO-2001026652-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO disclosed