SCHEMBL11170034

SCHEMBL11170034

COc1cc(NC(C)=O)ccc1OCCCN1CCN(c2cccc(C)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.57
▸ DRD2 P14416 3/20 0.55
▸ HTR1A P08908 6/20 0.51
▸ KCNH2 Q12809 4/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ QPCT Q16769 1/20 0.49
▸ HTR7 P34969 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CACNA1G O43497 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
SCHEMBL11172796 0.91 HTR2A (0.57) HTR2ADRD2HTR1AKCNH2MEN1
SCHEMBL11165829 0.90 DRD2 (0.62) HTR2ADRD2HTR1AMAPTSMN1; SMN2
SCHEMBL11184745 0.90 DRD2 (0.51) HTR2ADRD2HTR1AKCNH2DRD4
SCHEMBL11165239 0.90 HTR2A (0.58) HTR2ADRD2HTR1AKCNH2MEN1
SCHEMBL11168272 0.89 DRD2 (0.56) HTR2ADRD2HTR1AKCNH2MEN1
SCHEMBL11169527 0.87 DRD2 (0.58) DRD2HTR1AMAPTSMN1; SMN2USP2
SCHEMBL11169258 0.87 DRD2 (0.57) DRD2HTR1AMAPTSMN1; SMN2USP2
SCHEMBL11167712 0.85 MCHR1 (0.63) DRD2HTR1AMAPTSMN1; SMN2USP2
SCHEMBL11170700 0.85 MAPT (0.57) HTR2ADRD2HTR1AMAPTLMNA
SCHEMBL11164429 0.85 LMNA (0.59) HTR2ADRD2HTR1ADRD4MEN1

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 5 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 claimed
EP-0034284-B1 PIPERAZINE DERIVATIVE, PROCESSES FOR PREPARING THE SAME AND THERAPEUTIC COMPOSITIONS CONTAINING IT Tanabe Seiyaku Co., Ltd. (JP) 1983-10-05 — — EP claimed
EP-0034284-A2 Piperazine derivative, processes for preparing the same and therapeutic compositions containing it Tanabe Seiyaku Co., Ltd. (JP) 1981-08-26 — — EP claimed
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
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