SCHEMBL9490353

SCHEMBL9490353

NCC(c1ccc(Cl)cc1Cl)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 6/20 0.42
CNR2 P34972 5/20 0.42
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 2/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 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
SCHEMBL15797510 0.85 DPP4 (0.71) DPP4LMNAHTTTP53CNR1
SCHEMBL3470666 0.80 DPP4 (0.73) DPP4HTTNPSR1KMT2ACYP3A4
SCHEMBL8278787 0.80 DPP4 (0.73) DPP4HTTNPSR1KMT2ACYP3A4
SCHEMBL28195781 0.79 NPSR1 (0.46) LMNAHTTTP53NPSR1MEN1
SCHEMBL3669763 0.77 RPS6KB1 (0.49) LMNATP53KMT2ACYP3A4CYP2D6
SCHEMBL18598162 0.75 DPP4 (0.57) DPP4CYP3A4CYP2D6CYP2C19SLC6A4
SCHEMBL16461973 0.75 RPS6KB1 (0.50) LMNATP53KMT2ACYP3A4CYP2D6
SCHEMBL15797721 0.73 MC4R (0.50) DPP4HTTCYP3A4CYP2D6SLC6A4
SCHEMBL5104104 0.73 RPS6KB1 (0.43) DPP4HTTTP53CYP3A4CYP2D6
SCHEMBL5559565 0.73 SLC6A2 (0.45) DPP4CYP3A4CYP2D6CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324791-B1 ARYL-N-AMINOALKYL-4-(SULFONAMIDO)BENZAMIDES, ANTIARRHYTMIC AGENTS AND COMPOSITIONS THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed
US-4920116-A ANTIARRHYTHMIA AGENTS SCHERING A.G. (DE) 1990-04-24 US disclosed
EP-0324791-A1 ARYL-N-AMINOALKYL-4-(SULFONAMIDO)BENZAMIDES, ANTIARRHYTMIC AGENTS AND COMPOSITIONS THEREOF. SCHERING AG (DE) 1989-07-26 EP disclosed
WO-1988002362-A1 ARYL-N-AMINOALKYL-4-(SULFONAMIDO)BENZAMIDES, ANTIARRHYTMIC AGENTS AND COMPOSITIONS THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1988-04-07 WO disclosed