SCHEMBL8949271

SCHEMBL8949271

COC(=O)CC1CCN(C(=O)c2cnc(-c3ccc(C(=N)NC(=O)OC)cc3)nc2OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.41
GSK3B P49841 1/20 0.38
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
MTOR P42345 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MAPK14 Q16539 2/20 0.34
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
MELK Q14680 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 2/20 0.32
HPGD P15428 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL8949374 0.89 PRSS1 (0.45) HTR2BGSK3BF10PRSS1PRSS2
Hydrochloric Acid SCHEMBL8949142 0.89 PRSS1 (0.44) HTR2BGSK3BF10PRSS1PRSS2
SCHEMBL8407957 0.82 POLB (0.43) HTR2BITGB3ITGA2BHPGD
SCHEMBL8949321 0.82 HRH3 (0.37) HTR2BITGB3ITGA2BMELK
SCHEMBL8949309 0.81 ITGB3 (0.48) HTR2BF10PRSS1PRSS2PRSS3
SCHEMBL8410914 0.76 ITGB3 (0.42) ITGB3ITGA2BCYP2C19HPGD
SCHEMBL9568130 0.75 POLB (0.41) HTR2BITGB3ITGA2B
SCHEMBL8407952 0.74 ITGB3 (0.49) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949069 0.74 ITGB3 (0.43) F10PRSS1PRSS2PRSS3ST14
Hydrochloric Acid SCHEMBL8949289 0.74 ITGB3 (0.45) F10PRSS1PRSS2PRSS3ST14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US claimed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP claimed
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed