SCHEMBL11166971

SCHEMBL11166971

CCOC(=O)Nc1ccc(OCCCN2CCN(c3cccc(Cl)c3)CC2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ DRD2 P14416 2/20 0.53
▸ ADRA1A P35348 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ LMNA P02545 2/20 0.51
▸ CACNA1G O43497 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ABCB1 P08183 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ HTR4 Q13639 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ EGFR P00533 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
SCHEMBL11184745 0.92 DRD2 (0.51) MAPTDRD2ADRA1ADRD3LMNA
SCHEMBL11167746 0.91 MAPT (0.55) MAPTDRD2ADRA1ADRD3LMNA
SCHEMBL11163271 0.90 HTR1A (0.52) MAPTDRD2ADRA1ADRD3LMNA
SCHEMBL11171069 0.90 QPCT (0.52) MAPTDRD2ADRA1ADRD3LMNA
SCHEMBL11172796 0.89 HTR2A (0.57) L3MBTL1MAPTTHRBDRD2ADRA1A
SCHEMBL9559731 0.84 THRB (0.59) L3MBTL1MAPTTHRBDRD2DRD3
SCHEMBL11170034 0.82 HTR2A (0.57) MAPTDRD2LMNACACNA1GKCNH2
SCHEMBL11164429 0.80 LMNA (0.59) L3MBTL1MAPTDRD2DRD3LMNA
SCHEMBL5654244 0.80 L3MBTL1 (0.75) L3MBTL1MAPTTHRBDRD2ADRA1A
SCHEMBL11165829 0.80 DRD2 (0.62) MAPTDRD2LMNAUSP2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4420478-A ANTIBIOTICS, BACTERICIDES, CEPHALOSPORINS ROUSSEL UCLAF (FR) 1983-12-13 — — US 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
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
Send feedback