SCHEMBL9595403

SCHEMBL9595403

CS(=O)(=O)Nc1ccc(NCC2CN(Cc3ccccc3)CCN2c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.62
ACHE P22303 2/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.40
DRD2 P14416 1/20 0.40
NPC1 O15118 1/20 0.39
AR P10275 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 3/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL9595026 0.86 ADRB1 (0.66) ADRB1SMN1; SMN2GRIN2B
SCHEMBL9670261 0.85 ADRB1 (0.47) ADRB1ACHEPOLBDRD2NPC1
SCHEMBL9595783 0.79 ALDH1A1 (0.45) ADRB1POLBNPC1RAB9AROCK2
Hydrochloric Acid SCHEMBL9594985 0.78 ADRB1 (0.59) ADRB1NPC1ARHPGDRAB9A
SCHEMBL9596252 0.77 ADRB1 (1.00) ADRB1HPGD
SCHEMBL8781020 0.74 DRD4 (0.60) ADRB1POLBDRD2
SCHEMBL25288 0.71 SIGMAR1 (0.53) POLB
SCHEMBL9594552 0.71 SIGMAR1 (0.50) ACHEBACE1POLBDRD2GRIN2B
SCHEMBL25154608 0.70 DRD4 (0.46) SMN1; SMN2GRIN2B
SCHEMBL25154267 0.70 DRD4 (0.46) SMN1; SMN2GRIN2B

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
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