SCHEMBL7811346

SCHEMBL7811346

CN(Cc1ccccc1)C(=O)C(CC=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
TACR1 P25103 2/20 0.43
SLC6A4 P31645 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
HSP90AA1 P07900 1/20 0.42
KMO O15229 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL7809429 0.89 SIGMAR1 (0.42) KMOMEN1KMT2A
SCHEMBL7809519 0.86 MEN1 (0.45) HPGDMEN1KMT2A
SCHEMBL7815213 0.85 HPGD (0.48) HPGDTACR1SLC6A4CA12CA9
SCHEMBL6969737 0.85 ALDH1A1 (0.44) SLC6A4KMOMEN1KMT2ASLC6A2
SCHEMBL7807793 0.84 TACR1 (0.42) TACR1HSP90AA1MEN1KMT2A
SCHEMBL6962001 0.84 MEN1 (0.49) SLC6A4MEN1KMT2ANPC1TDP1
SCHEMBL8801314 0.82 HPGD (0.45) HPGDSLC6A4CA12CA9HSP90AA1
SCHEMBL8801310 0.82 HPGD (0.45) HPGDSLC6A4CA12CA9HSP90AA1
SCHEMBL7803017 0.81 KDM4E (0.43) HSP90AA1MEN1KMT2A
SCHEMBL9119210 0.74 HPGD (0.44) HPGDSLC6A4CA12CA9HSP90AA1

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
EP-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed