SCHEMBL7414205

SCHEMBL7414205

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
KCNN4 O15554 1/20 0.31
PGR P06401 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
SCHEMBL27553886 0.82 FASN (0.34) F2F10PLGPRSS1PRSS2
SCHEMBL7414208 0.79 CYP11B2 (0.33) F2F10PLGPRSS1PRSS2
SCHEMBL7414201 0.79 ALDH1A1 (0.35) PGR
SCHEMBL7416376 0.79 ALOX15 (0.39) F2F10PLGPRSS1PRSS2
SCHEMBL7420019 0.77 FASN (0.34) PGR
SCHEMBL7412466 0.74 MAPT (0.42)
SCHEMBL7413734 0.72 HSD11B1 (0.36) F2F10PLGPRSS1PRSS2
SCHEMBL7413022 0.72 F2 (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL7413025 0.70 F2 (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL7449396 0.70 MAPT (0.37) F2F10PLGPRSS1PRSS2

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
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP 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