SCHEMBL7416376

SCHEMBL7416376

CCOC(=O)CCC(=O)N(C1CCCC1)C1(c2ccc(NC)c(N)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
F2 P00734 2/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PTGER4 P35408 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
KCNN4 O15554 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33

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
SCHEMBL7412466 0.85 MAPT (0.42) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL7414201 0.77 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL7414208 0.71 CYP11B2 (0.33) F2F10PLGPRSS1PRSS2
SCHEMBL27466941 0.70 SMN1; SMN2 (0.39) OPRM1OPRL1ALDH1A1KDM4EMEN1
SCHEMBL7980982 0.69 OPRM1 (0.45) ALOX15F2F10PLGPRSS1
SCHEMBL7412365 0.65 PRKCI (0.42) ALOX15ALDH1A1KMT2APDE4APDE4B
SCHEMBL16274263 0.64 PTGER4 (0.50) ALOX15PTGER4ALDH1A1KDM4EMEN1
SCHEMBL6619252 0.64 PTGER4 (0.48) ALOX15PTGER4ALDH1A1KDM4EMEN1
SCHEMBL6775774 0.63 PRKCI (0.46) ALOX15PTGER4ALDH1A1KDM4ETDP1
SCHEMBL7427555 0.62 ALDH1A1 (0.37) ALOX15F2ALDH1A1KDM4EMEN1

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
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
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