SCHEMBL11163271

SCHEMBL11163271

CCOC(=O)Nc1ccc(OCCCN2CCN(c3cccc(F)c3)CC2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.52
▸ HTR2A P28223 4/20 0.52
▸ DRD2 P14416 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ MET P08581 2/20 0.47
▸ VCP P55072 1/20 0.46
▸ QPCT Q16769 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MCHR1 Q99705 2/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL11184745 0.91 DRD2 (0.51) HTR1AHTR2ADRD2ADRA1ADRD3
SCHEMBL11166971 0.90 L3MBTL1 (0.54) DRD2ADRA1ADRD3ALOX15MAPT
SCHEMBL11167746 0.90 MAPT (0.55) HTR1ADRD2ADRA1ADRD3QPCT
SCHEMBL11165239 0.89 HTR2A (0.58) HTR1AHTR2ADRD2METALOX15
SCHEMBL11171069 0.87 QPCT (0.52) HTR1ADRD2ADRA1ADRD3QPCT
SCHEMBL11170034 0.81 HTR2A (0.57) HTR1AHTR2ADRD2QPCTMAPT
SCHEMBL11172796 0.79 HTR2A (0.57) HTR1AHTR2ADRD2ADRA1ADRD3
SCHEMBL11170700 0.79 MAPT (0.57) HTR1AHTR2ADRD2ALOX15MAPT
SCHEMBL11165829 0.79 DRD2 (0.62) HTR1AHTR2ADRD2QPCTMAPT
SCHEMBL11157326 0.79 ALDH1A1 (0.54) HTR1ADRD2QPCTMAPTMCHR1

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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