SCHEMBL7411883

SCHEMBL7411883

CNc1ccc(C(NC(=O)OC(C)(C)C)C(=O)N2CCCC2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.41
CTSK P43235 2/20 0.37
CTSS P25774 1/20 0.37
KLRK1 P26718 2/20 0.37
MICA Q29983 2/20 0.37
RAET1L Q5VY80 2/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
PRKCI P41743 1/20 0.35
MTTP P55157 2/20 0.34

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
SCHEMBL7421439 0.84 HCAR3 (0.40) CTSKCTSSKLRK1MICARAET1L
SCHEMBL16379880 0.79 CTSK (0.43) CTSKCTSSKLRK1MICARAET1L
SCHEMBL21468963 0.79 CTSK (0.43) CTSKCTSSKLRK1MICARAET1L
SCHEMBL22617062 0.78 MEN1 (0.46) CTSKCTSSCTSLCTSB
SCHEMBL20434046 0.78 CTSS (0.55) CTSKCTSSKLRK1MICARAET1L
SCHEMBL5445090 0.77 CTSS (0.54) CTSKCTSSKLRK1MICARAET1L
SCHEMBL5443088 0.77 CTSS (0.54) CTSKCTSSKLRK1MICARAET1L
SCHEMBL7413823 0.75 ALOX15 (0.38) AAK1PRKCI
SCHEMBL4449996 0.75 ALOX15 (0.38) AAK1PRKCI
SCHEMBL7420037 0.75 ALDH1A1 (0.37) CTSKCTSSCTSLCTSB

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 2 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