SCHEMBL6845396

SCHEMBL6845396

CCCc1ccc(CCNC(C)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.72
F13A1 P00488 1/20 0.72
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.66
HPGD P15428 2/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
PTGS1 P23219 1/20 0.61
BLM P54132 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ACACB O00763 5/20 0.59
MTNR1A P48039 1/20 0.56
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL10592850 0.92 KDM4E (0.84) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2093513 0.88 KDM4E (0.72) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD
SCHEMBL19234514 0.84 KMT2A (0.61) KDM4EF13A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5987671 0.84 KDM4E (0.72) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD
SCHEMBL661278 0.84 KDM4E (0.72) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD
SCHEMBL11553305 0.84 KDM4E (0.72) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD
SCHEMBL734658 0.84 KDM4E (1.00) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10453028 0.83 KDM4E (0.60) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD
SCHEMBL6329536 0.82 KDM4E (0.70) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD
SCHEMBL256027 0.82 KDM4E (0.70) KDM4EF13A1ALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
US-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed
EP-0221344-B1 SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1990-05-23 EP disclosed
EP-0221344-A1 Sulphonyl-phenyl alkyl amines, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1987-05-13 EP disclosed