SCHEMBL11167178

SCHEMBL11167178

COc1cc(NS(C)(=O)=O)ccc1OCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 0.56
▸ QPCT Q16769 1/20 0.49
▸ HTR1A P08908 5/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ KIT P10721 2/20 0.49
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48

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
SCHEMBL11166237 0.84 HTR1A (0.50) QPCTHTR1ADRD3DRD2HTR2A
SCHEMBL11161966 0.84 HTR1A (0.52) HTR7QPCTHTR1ADRD3DRD2
SCHEMBL11165829 0.84 DRD2 (0.62) HTR7QPCTHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL11167530 0.83 HTR1A (0.54) HTR7QPCTHTR1ADRD3DRD2
SCHEMBL11171069 0.83 QPCT (0.52) QPCTHTR1ADRD3DRD2USP2
SCHEMBL11173613 0.83 MCHR1 (0.66) QPCTHTR1ADRD2USP2ALDH1A1
SCHEMBL11198528 0.83 ALDH1A1 (0.60) QPCTHTR1AUSP2ALDH1A1LMNA
SCHEMBL9428295 0.82 KIT (0.46) HTR1ADRD3DRD2HRH1KIT
SCHEMBL11176687 0.82 MCHR1 (0.60) QPCTHTR1ADRD2USP2ALDH1A1
Hydrochloric Acid SCHEMBL9428988 0.82 MAPT (0.45) HTR7HTR1ADRD3DRD2HTR2A

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
US-4413006-A N-Aryl-N-phenoxy-alkyl-piperazine compounds useful in decreasing intracranial pressure TANABE SEIYAKU CO., LTD. (JP) 1983-11-01 — — US disclosed
EP-0034284-B1 PIPERAZINE DERIVATIVE, PROCESSES FOR PREPARING THE SAME AND THERAPEUTIC COMPOSITIONS CONTAINING IT Tanabe Seiyaku Co., Ltd. (JP) 1983-10-05 — — EP disclosed
EP-0034284-A2 Piperazine derivative, processes for preparing the same and therapeutic compositions containing it Tanabe Seiyaku Co., Ltd. (JP) 1981-08-26 — — EP disclosed
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