SCHEMBL6627508

SCHEMBL6627508

Brc1ccc2c3c([nH]c2c1)CCC3

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.75
HSD17B10 Q99714 3/20 0.58
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 2/20 0.46
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
NQO1 P15559 1/20 0.42
F2 P00734 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL1004931 0.96 MAPT (0.70) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12927815 0.95 MAPT (0.68) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL29966807 0.86 MAPT (1.00) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12647098 0.86 MAPT (1.00) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL16477207 0.82 MAPT (0.53) MAPTHSD17B10KMT2AKDM4E
SCHEMBL1053506 0.82 MAPT (0.93) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1613666 0.81 MAPT (0.90) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6069754 0.79 MAPT (0.51) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL5022717 0.79 MAPT (0.51) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3498303 0.79 MAPT (0.54) MAPTHSD17B10ALDH1A1MEN1KMT2A

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
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO disclosed