SCHEMBL11166237

SCHEMBL11166237

COc1cc(NC=O)ccc1OCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ QPCT Q16769 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ BCHE P06276 2/20 0.49
▸ ACHE P22303 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ MCHR1 Q99705 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
SCHEMBL11161966 0.85 HTR1A (0.52) HTR1ADRD3QPCTDRD2HTR2A
SCHEMBL11165829 0.84 DRD2 (0.62) HTR1AQPCTDRD2HTR2ABCHE
SCHEMBL11167178 0.84 HTR7 (0.56) HTR1ADRD3QPCTDRD2HTR2A
Hydrochloric Acid SCHEMBL11167530 0.84 HTR1A (0.54) HTR1ADRD3QPCTDRD2HTR2A
SCHEMBL11173613 0.84 MCHR1 (0.66) HTR1AQPCTDRD2BCHEACHE
SCHEMBL11198528 0.84 ALDH1A1 (0.60) HTR1AQPCTBCHEACHEMAPT
SCHEMBL11176687 0.83 MCHR1 (0.60) HTR1AQPCTDRD2BCHEACHE
SCHEMBL11170922 0.82 BCHE (0.56) QPCTBCHEACHEMAPTALDH1A1
SCHEMBL11172284 0.82 ALDH1A1 (0.55) HTR1AQPCTDRD2BCHEACHE
SCHEMBL11160725 0.82 ALDH1A1 (0.55) HTR1AQPCTDRD2BCHEACHE

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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