SCHEMBL8949047

SCHEMBL8949047

CCOC(=O)C1CCC(N(C)C(=O)c2cnc(-c3ccc(C(=N)N)cc3)nc2OCC)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
DGAT1 O75907 1/20 0.37
POLB P06746 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.36
PTPN11 Q06124 1/20 0.36
TP53 P04637 4/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.36
SYK P43405 1/20 0.35
ITGB3 P05106 1/20 0.35

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
SCHEMBL8949043 1.00 HSD11B1 (0.38) HSD11B1ALDH1A1SMN1; SMN2DGAT1POLB
SCHEMBL8949077 0.91 HTR2B (0.39) ALDH1A1SMN1; SMN2POLBCYP1A2CYP2C9
SCHEMBL9571663 0.91 HTR2B (0.39) ALDH1A1SMN1; SMN2POLBCYP1A2CYP2C9
SCHEMBL8949176 0.76 POLB (0.36) POLBSYKITGB3PRSS1PRSS2
SCHEMBL8949178 0.76 POLB (0.36) POLBSYKITGB3PRSS1PRSS2
SCHEMBL8949363 0.75 TMPRSS15 (0.43) POLBSYKPRSS1PRSS2PRSS3
SCHEMBL8949356 0.75 TMPRSS15 (0.43) POLBSYKPRSS1PRSS2PRSS3
SCHEMBL8948981 0.73 GPR119 (0.38) POLBSYKITGB3ITGA2B
SCHEMBL8948974 0.73 GPR119 (0.38) POLBSYKITGB3ITGA2B
SCHEMBL8949416 0.72 ITGB3 (0.39) DGAT1POLBSYKITGB3PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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