SCHEMBL8949205

SCHEMBL8949205

CC(C(=O)O)C1CCN(C(=O)c2ncc(-c3ccc(C(=N)N)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ITGB3 P05106 15/20 0.40
ITGA2B P08514 15/20 0.40
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
POLB P06746 1/20 0.39
F10 P00742 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37

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 SCHEMBL8949067 0.88 ITGB3 (0.40) SMN1; SMN2ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8949209 0.81 ITGB3 (0.56) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949325 0.76 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949272 0.76 ITGB3 (0.48) ITGB3ITGA2BTSHR
SCHEMBL9278118 0.75 ITGB3 (0.37) SMN1; SMN2ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8949046 0.74 ITGB3 (0.50) ITGB3ITGA2BPOLBTSHRKMT2A
SCHEMBL8949143 0.73 ITGB3 (0.45) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949247 0.72 KDM1A (0.44) ITGB3ITGA2BHPGD
SCHEMBL8949071 0.71 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL8949254 0.71 ITGB3 (0.39) ITGB3ITGA2B

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