SCHEMBL7414208

SCHEMBL7414208

CCOC(=O)CCC(=O)N(C1CCCC1)C1(c2ccc(N(C)NC(=O)CN)c(-c3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.33
CYP11B1 P15538 2/20 0.33
KDM1A O60341 3/20 0.33
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
MCHR1 Q99705 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PLG P00747 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL7414205 0.79 F2 (0.31) F2F10PLGPRSS1PRSS2
SCHEMBL27553886 0.73 FASN (0.34) F2F10PLGPRSS1PRSS2
SCHEMBL7413736 0.71 KDM1A (0.38) KDM1AF2F10PRSS1PRSS2
SCHEMBL7413025 0.70 F2 (0.43) KDM4EF2F10PLGPRSS1
SCHEMBL7413022 0.70 F2 (0.43) KDM1AF2F10PLGPRSS1
SCHEMBL7449396 0.70 MAPT (0.37) OPRM1KDM4EHTTF2F10
SCHEMBL7412466 0.66 MAPT (0.42) KDM4EHTTL3MBTL1
SCHEMBL7979862 0.64 F2 (0.65) F2F10PLGPRSS1PRSS2
SCHEMBL7449392 0.64 NPC1 (0.34)
SCHEMBL27466941 0.61 SMN1; SMN2 (0.39) OPRM1OPRL1KDM4EL3MBTL1

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-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
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed