SCHEMBL7389347

SCHEMBL7389347

N=C(N)c1ccc(-n2ncn([C@H]3CC[C@H](CCC(=O)O)CC3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.41
ITGA2B P08514 18/20 0.41
ALOX15 P16050 1/20 0.39
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

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
SCHEMBL7389350 1.00 ITGB3 (0.41) ITGB3ITGA2BALOX15F10PRSS1
Hydrochloric Acid SCHEMBL7390520 0.87 ITGB3 (0.42) ITGB3ITGA2BALOX15F10PRSS1
SCHEMBL7394701 0.81 ITGB3 (0.41) ITGB3ITGA2BALOX15F10PRSS1
SCHEMBL7394704 0.81 ITGB3 (0.41) ITGB3ITGA2BALOX15F10PRSS1
SCHEMBL8863305 0.81 ITGB3 (0.43) ITGB3ITGA2BALOX15
SCHEMBL7392878 0.79 ITGB3 (0.40) ITGB3ITGA2BALOX15
SCHEMBL7398264 0.79 ITGB3 (0.40) ITGB3ITGA2BALOX15
SCHEMBL7392883 0.79 ITGB3 (0.40) ITGB3ITGA2BALOX15
Hydrochloric Acid SCHEMBL8564618 0.76 ACHE (0.40) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8569741 0.76 DGAT1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP claimed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed