SCHEMBL11168272

SCHEMBL11168272

COc1cc(NC(C)=O)ccc1OCCCN1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.56
▸ MAPT P10636 5/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GFER P55789 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR1A P08908 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ QPCT Q16769 1/20 0.49
▸ MCHR1 Q99705 1/20 0.48
▸ TSHR P16473 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
SCHEMBL11170700 0.91 MAPT (0.57) DRD2MAPTLMNAALOX15MAPK1
SCHEMBL11164429 0.91 LMNA (0.59) DRD2MAPTMEN1KMT2AUSP2
SCHEMBL11165829 0.91 DRD2 (0.62) DRD2MAPTUSP2SMN1; SMN2LMNA
SCHEMBL11170034 0.89 HTR2A (0.57) DRD2MAPTMEN1KMT2AUSP2
SCHEMBL11169527 0.88 DRD2 (0.58) DRD2MAPTUSP2SMN1; SMN2LMNA
SCHEMBL11169258 0.87 DRD2 (0.57) DRD2MAPTUSP2SMN1; SMN2LMNA
SCHEMBL11167712 0.86 MCHR1 (0.63) DRD2MAPTUSP2SMN1; SMN2LMNA
SCHEMBL11172796 0.85 HTR2A (0.57) DRD2MAPTMEN1KMT2AUSP2
SCHEMBL11165239 0.85 HTR2A (0.58) DRD2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11166661 0.84 DRD2 (0.67) DRD2MEN1KMT2AHTR2AHTR1A

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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