SCHEMBL9768774

SCHEMBL9768774

CN(C)CC(=O)N1c2cc(Cl)ccc2N(C)S(=O)(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
NR1I2 O75469 3/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
OPRD1 P41143 1/20 0.39
DRD2 P14416 2/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A1 O15245 1/20 0.37
ABCB11 O95342 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL9768709 0.95 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9768732 0.92 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9768872 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9768706 0.88 MAPT (0.44) ALDH1A1KDM4EMAPTKMT2ASLC6A2
SCHEMBL9768826 0.87 MAPT (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9768779 0.87 NPC1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9768711 0.82 NPC1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9768718 0.79 NR1I2 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9768790 0.79 NPC1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9768729 0.78 MAPT (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A

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
US-5011833-A Antidepressant A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) 1991-04-30 US disclosed
EP-0354885-A1 Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1990-02-14 EP disclosed