SCHEMBL8949206

SCHEMBL8949206

CN(C)C(=O)Cn1nc(-c2ccc(C(=N)N)cc2)cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.46
CNR1 P21554 4/20 0.46
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
CRHR1 P34998 2/20 0.37
CRHR2 Q13324 2/20 0.37
PRSS1 P07477 4/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
ST14 Q9Y5Y6 3/20 0.37
F2 P00734 2/20 0.37
F10 P00742 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PLG P00747 2/20 0.36
TMPRSS15 P98073 1/20 0.36

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
Hydrochloric Acid SCHEMBL8949187 0.91 CNR2 (0.43) CNR2CNR1HPGDSMN1; SMN2CRHR1
SCHEMBL8949025 0.91 CNR2 (0.47) CNR2CNR1HPGDSMN1; SMN2ITGB3
SCHEMBL8949399 0.89 CNR2 (0.49) CNR2CNR1HPGDSMN1; SMN2ITGB3
SCHEMBL8949296 0.85 CNR2 (0.60) CNR2CNR1SMN1; SMN2CRHR1CRHR2
SCHEMBL8949277 0.84 CNR2 (0.46) CNR2CNR1HPGDITGB3ITGA2B
SCHEMBL8949148 0.84 CNR2 (0.46) CNR2CNR1HPGDITGB3ITGA2B
SCHEMBL8949199 0.84 ITGB3 (0.43) CNR2CNR1HPGDITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949111 0.83 ITGB3 (0.43) CNR2CNR1HPGDITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949338 0.82 CNR2 (0.45) CNR2CNR1HPGDSMN1; SMN2CRHR1
SCHEMBL8949103 0.81 CNR2 (0.47) CNR2CNR1HPGDSMN1; SMN2CRHR1

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