SCHEMBL7759533

SCHEMBL7759533

COC(=O)c1cc(OC)ccc1NCC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ MCHR1 Q99705 2/20 0.52
▸ PTGER4 P35408 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL11637883 0.78 KDM4E (0.53) POLBMCHR1KDM4EHSD17B10ALDH1A1
SCHEMBL17166506 0.75 SMN1; SMN2 (0.59) PTGER4KDM4EALDH1A1NPC1MEN1
SCHEMBL18830189 0.75 PTGER4 (0.53) POLBPTGER4KDM4EHSD17B10ALDH1A1
SCHEMBL8161809 0.75 MEN1 (0.53) POLBKDM4EHSD17B10ALDH1A1NPC1
SCHEMBL3764360 0.74 PTGER4 (0.70) PTGER4KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL18830370 0.74 PTGER4 (0.61) POLBPTGER4KDM4EHSD17B10ALDH1A1
SCHEMBL18433144 0.73 PTGER4 (0.49) PTGER4KDM4EALDH1A1NPC1EPHX2
SCHEMBL12316323 0.73 HTT (0.53) POLBPTGER4KDM4EHSD17B10ALDH1A1
SCHEMBL4193304 0.73 POLB (0.74) POLBALDH1A1NPC1RAB9AMEN1
SCHEMBL22452600 0.73 MTNR1A (0.45) POLBMCHR1KDM4EHSD17B10ALDH1A1

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
EP-1091947-A1 ALPHA-(1-PIPERAZINYL)ACETAMIDO ARENECARBOXYLIC ACID DERIVATIVES AS ANTIDIABETIC AGENTS MERCK PATENT GmbH (DE) 2001-04-18 — — EP disclosed
WO-1999064407-A1 α-(1-PIPERAZINYL)ACETAMIDO ARENECARBOXYLIC ACID DERIVATIVES AS ANTIDIABETIC AGENTS MERCK PATENT GMBH (DE) 1999-12-16 — — WO disclosed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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