SCHEMBL8589728

SCHEMBL8589728

CN1CCC(Oc2cc(NC(=O)Nc3ccc(-c4ccncc4)c(Cl)c3)ccc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 3/20 0.43
RORC P51449 1/20 0.43
MTOR P42345 2/20 0.42
MAPK14 Q16539 1/20 0.42
SLC5A7 Q9GZV3 1/20 0.42
BLM P54132 3/20 0.41
KDR P35968 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
DNMT1 P26358 1/20 0.41
HTT P42858 1/20 0.41
DUSP3 P51452 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 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
SCHEMBL8588714 0.92 HSP90AA1 (0.42) HSP90AA1HSP90AB1RORCMTORMAPK14
SCHEMBL8591540 0.89 KDR (0.51) MAPK14BLMKDRBRAFFGFR1
SCHEMBL8617192 0.79 HTR1A (0.49)
SCHEMBL7000915 0.77 HTR1D (0.62) BLMMAPT
SCHEMBL8111275 0.76 IDO1 (0.49) MAPT
SCHEMBL6999750 0.76 BLM (0.41) MTORBLMMEN1LMNAKMT2A
SCHEMBL10267494 0.74 GRM4 (0.51) RORCMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4509011 0.73 GRM4 (0.50) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL8618434 0.72 HTR1A (0.46)
SCHEMBL10267808 0.72 HTR1F (0.53) RORCSLC5A7UTS2RSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO claimed
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed