SCHEMBL11169258

SCHEMBL11169258

COc1cc(NC(C)=O)ccc1OCCCCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ MCHR1 Q99705 3/20 0.55
▸ HTR7 P34969 1/20 0.55
▸ BCHE P06276 8/20 0.54
▸ ACHE P22303 8/20 0.54
▸ QPCT Q16769 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ HTR1A P08908 1/20 0.53

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
SCHEMBL11169527 0.99 DRD2 (0.58) DRD2ALDH1A1USP2LMNAMAPT
SCHEMBL11165829 0.96 DRD2 (0.62) DRD2ALDH1A1USP2LMNAMAPT
SCHEMBL11167712 0.93 MCHR1 (0.63) DRD2ALDH1A1USP2LMNAMAPT
SCHEMBL11198528 0.87 ALDH1A1 (0.60) ALDH1A1USP2LMNAMAPTHPGD
SCHEMBL11173613 0.87 MCHR1 (0.66) DRD2ALDH1A1USP2LMNAMAPT
SCHEMBL11168272 0.87 DRD2 (0.56) DRD2ALDH1A1USP2LMNAMAPT
SCHEMBL11170034 0.87 HTR2A (0.57) DRD2USP2LMNAMAPTSMN1; SMN2
SCHEMBL11172796 0.87 HTR2A (0.57) DRD2ALDH1A1USP2LMNAMAPT
SCHEMBL11176687 0.86 MCHR1 (0.60) DRD2ALDH1A1USP2LMNAMAPT
SCHEMBL11170700 0.86 MAPT (0.57) DRD2ALDH1A1LMNAMAPTKDM4E

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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