SCHEMBL11172796

SCHEMBL11172796

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ DRD2 P14416 3/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CACNA1G O43497 1/20 0.55
▸ KCNH2 Q12809 2/20 0.54
▸ ABCB1 P08183 1/20 0.53
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HTR1A P08908 2/20 0.52
▸ ADRA1A P35348 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SMN1; SMN2 Q16637 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
SCHEMBL11170034 0.91 HTR2A (0.57) HTR2AMAPTDRD2MEN1KMT2A
SCHEMBL11164429 0.90 LMNA (0.59) HTR2AL3MBTL1MAPTDRD2MEN1
SCHEMBL11165829 0.90 DRD2 (0.62) HTR2AMAPTDRD2LMNAUSP2
SCHEMBL11165239 0.90 HTR2A (0.58) HTR2AMAPTDRD2MEN1KMT2A
SCHEMBL11166971 0.89 L3MBTL1 (0.54) L3MBTL1MAPTTHRBDRD2MEN1
SCHEMBL11169527 0.87 DRD2 (0.58) MAPTDRD2LMNAUSP2ALDH1A1
SCHEMBL11169258 0.87 DRD2 (0.57) MAPTDRD2LMNAUSP2ALDH1A1
SCHEMBL11168269 0.86 DRD2 (0.67) HTR2AL3MBTL1MAPTDRD2MEN1
SCHEMBL11168272 0.85 DRD2 (0.56) HTR2AL3MBTL1MAPTDRD2MEN1
SCHEMBL11167712 0.85 MCHR1 (0.63) 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 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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