SCHEMBL11170922

SCHEMBL11170922

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 13/20 0.56
▸ ACHE P22303 13/20 0.56
▸ QPCT Q16769 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MCHR1 Q99705 4/20 0.52
▸ TP53 P04637 1/20 0.51

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
SCHEMBL11165829 0.89 DRD2 (0.62) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11173613 0.87 MCHR1 (0.66) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11198528 0.87 ALDH1A1 (0.60) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11169527 0.87 DRD2 (0.58) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11169258 0.86 DRD2 (0.57) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11176687 0.86 MCHR1 (0.60) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11172284 0.85 ALDH1A1 (0.55) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11160725 0.85 ALDH1A1 (0.55) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11167712 0.84 MCHR1 (0.63) BCHEACHEQPCTUSP2ALDH1A1
SCHEMBL11159508 0.84 MAPT (0.55) BCHEACHEQPCTUSP2ALDH1A1

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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