SCHEMBL7362098

SCHEMBL7362098

O=C(O)CCC(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
HSD17B10 Q99714 8/20 1.00
HPGD P15428 3/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
RECQL P46063 1/20 1.00
ALDH1A1 P00352 7/20 0.76
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
NPC1 O15118 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
RAB9A P51151 1/20 0.70
HTR7 P34969 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.65
LMNA P02545 1/20 0.63
CASP1 P29466 1/20 0.63
NAMPT P43490 1/20 0.61
POLB P06746 1/20 0.61

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
Hydrochloric Acid SCHEMBL4383380 0.87 HSD17B10 (0.76) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL30206549 0.86 KDM4E (0.75) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL9987671 0.86 KDM4E (0.75) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL596065 0.84 KDM4E (0.72) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL5052466 0.84 KDM4E (0.72) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL7365515 0.83 KDM4E (0.71) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL23682791 0.83 KDM4E (0.81) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL12781875 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL15007834 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL15630682 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100543032-C Streptogramin derivatives, preparation method and compositions containing them AVETIS PHARMA S A (FR) 2009-09-23 CN disclosed
CN-1961878-A Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA SA (FR) 2007-05-16 CN disclosed
CN-1358194-A Streptogramin derivatives, preparation method and compositions containing them AVETIS PHARMA S A (FR) 2002-07-10 CN disclosed
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP disclosed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO disclosed