SCHEMBL9596252

SCHEMBL9596252

CS(=O)(=O)Nc1ccc(NCC2CNCCN2c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 1.00
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 4/20 0.51
KEAP1 Q14145 1/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRK1 P41145 1/20 0.38
PGR P06401 1/20 0.37
NR3C2 P08235 3/20 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
SCHEMBL9593901 0.85 ADRB1 (1.00) ADRB1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL9670487 0.78 ADRB1 (0.74) ADRB1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL9595403 0.77 ADRB1 (0.62) ADRB1HPGD
SCHEMBL24918358 0.73 SLC6A4 (0.64) ADRB1SLC6A2SLC6A4SLC6A3
SCHEMBL9594188 0.73 ADRB1 (1.00) ADRB1KEAP1HTR6
SCHEMBL7149297 0.72 SLC6A2 (0.69) ADRB1SLC6A2SLC6A4SLC6A3
SCHEMBL10683759 0.71 ADRB1 (0.56) ADRB1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL9670493 0.70 ADRB1 (0.56) ADRB1SLC6A2SLC6A4SLC6A3
SCHEMBL11267479 0.69 SLC6A2 (0.66) ADRB1SLC6A2SLC6A4SLC6A3
SCHEMBL20141290 0.69 SLC6A4 (0.69) ADRB1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491709-A1 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-01 EP claimed
US-5051422-A 2-substituted-1(4)-aryl piperazines and the process for their preparation SCHERING AG (DE) 1991-09-24 US claimed
WO-1991004250-A1 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-04-04 WO claimed
US-5223623-A 2-substituted-1(4)-aryl piperazines and the process for their preparation SCHERING AG (DE) 1993-06-29 US disclosed
EP-0491709-A1 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-01 EP disclosed
US-5051422-A 2-substituted-1(4)-aryl piperazines and the process for their preparation SCHERING AG (DE) 1991-09-24 US disclosed
WO-1991004250-A1 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-04-04 WO disclosed