SCHEMBL7412466

SCHEMBL7412466

CCOC(=O)CCC(=O)N(C1CCCC1)C1(c2ccc(NC)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 7/20 0.40
LMNA P02545 5/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 3/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR3 P49019 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL7979477 0.72 KMT2A (0.47) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL7410714 0.68 HCAR3 (0.47) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL16673894 0.67 LMNA (0.56) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL6618857 0.66 MAPT (0.61) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL7415255 0.66 HCAR3 (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7430594 0.65 HCAR3 (0.39) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL1965205 0.65 KMT2A (0.76) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL7412565 0.65 HCAR3 (0.57) MAPTALDH1A1GAAMAPK1POLB
SCHEMBL27424421 0.64 HCAR3 (0.43) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL7492678 0.64 HCAR3 (0.53) MAPTALDH1A1GAAMAPK1SMN1; SMN2

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
EP-1184383-A1 9-[Alkyl], 9-[(heteroaryl)alkyl] and 9-[(aryl)alkyl]-2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2002-03-06 EP claimed
CN-1152866-C Benzimidazoles, production thereof and use thereof medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-09 CN disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
EP-1184383-A1 9-[Alkyl], 9-[(heteroaryl)alkyl] and 9-[(aryl)alkyl]-2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2002-03-06 EP disclosed
CN-1308614-A Benzimidazoles, production thereof and use thereof medicaments BOEHRINGER INGELHEIM PHAMA KG (DE) 2001-08-15 CN disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed