SCHEMBL7958835

SCHEMBL7958835

CN(C)CCOc1ccccc1-c1nc(-c2ccccc2N(C)C)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
NPSR1 Q6W5P4 2/20 0.47
TTR P02766 1/20 0.47
KDM4E B2RXH2 7/20 0.47
HSD17B10 Q99714 6/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 3/20 0.47
USP2 O75604 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 9/20 0.46
NPC1 O15118 8/20 0.46
RAB9A P51151 7/20 0.46
LMNA P02545 2/20 0.46
HTR1B P28222 1/20 0.44
TP53 P04637 5/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
ADRB2 P07550 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
SCHEMBL7954897 0.91 HTR7 (0.56) HTR7NPSR1TTRKDM4EHSD17B10
SCHEMBL7960663 0.86 SMN1; SMN2 (0.52) HTR7NPSR1TTRKDM4EHSD17B10
SCHEMBL7956815 0.86 HTR7 (0.66) HTR7NPSR1KDM4EHSD17B10ALDH1A1
SCHEMBL7964562 0.85 NPC1 (0.51) HTR7NPSR1TTRKDM4EHSD17B10
SCHEMBL7947807 0.85 HTR7 (0.56) HTR7NPSR1TTRKDM4EHSD17B10
SCHEMBL7961683 0.85 CASP3 (0.51) HTR7NPSR1TTRKDM4EHSD17B10
Irampanel SCHEMBL678128 0.85 HTR7 (0.63) HTR7NPSR1TTRKDM4EHSD17B10
SCHEMBL7947650 0.84 SMN1; SMN2 (0.52) HTR7NPSR1TTRKDM4EHSD17B10
Irampanel SCHEMBL6879876 0.84 HTR7 (0.62) HTR7NPSR1TTRKDM4EHSD17B10
SCHEMBL7962019 0.84 NPC1 (0.56) HTR7NPSR1TTRKDM4EHSD17B10

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
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed