SCHEMBL9170751

SCHEMBL9170751

O=C(CCc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.75
ALDH1A1 P00352 7/20 0.73
MAPT P10636 2/20 0.73
TSHR P16473 2/20 0.63
LSS P48449 1/20 0.63
GAA P10253 2/20 0.62
LMNA P02545 3/20 0.61
TBXA2R P21731 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 2/20 0.57
PPARG P37231 1/20 0.57

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
SCHEMBL27405797 0.82 NPC1 (0.70) HPGDALDH1A1MAPTGAAMEN1
SCHEMBL9130927 0.82 LSS (0.90) ALDH1A1MAPTTSHRLSSGAA
SCHEMBL9129519 0.81 LSS (0.76) ALDH1A1MAPTLSSLMNATBXA2R
SCHEMBL9130164 0.80 TBXA2R (0.81) ALDH1A1MAPTTBXA2RMEN1KMT2A
SCHEMBL9754552 0.79 MEN1 (0.84) ALDH1A1TSHRLSSGAALMNA
SCHEMBL9127709 0.79 MEN1 (0.70) ALDH1A1MAPTLSSGAALMNA
SCHEMBL9129012 0.79 LSS (0.72) ALDH1A1MAPTLSSGAALMNA
SCHEMBL3868846 0.79 LSS (0.98) ALDH1A1MAPTLSSLMNATBXA2R
SCHEMBL9128739 0.78 HTT (0.70) HPGDALDH1A1MAPTGAALMNA
SCHEMBL24324266 0.76 HSD17B10 (0.55) HPGDALDH1A1MAPTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP claimed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed