SCHEMBL8417064

SCHEMBL8417064

O=C(O)CCNC(=O)c1ccccc1C1CNC(=O)N1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.43
ITGA2B P08514 15/20 0.43
ITGA2 P17301 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CHRM1 P11229 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
SCHEMBL8415391 0.89 NPC1 (0.38) KDM4EALDH1A1LMNACHRM1
SCHEMBL8413812 0.88 KDM4E (0.39) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL8417066 0.81 ITGB3 (0.48) ITGB3ITGA2BITGA2
SCHEMBL8575558 0.79 LMNA (0.37) KDM4EALDH1A1LMNA
SCHEMBL8575282 0.72 TDP1 (0.36) KDM4EALDH1A1
SCHEMBL3815926 0.71 SLC18A3 (0.44)
SCHEMBL4610243 0.71 SLC18A3 (0.44)
Hydrochloric Acid SCHEMBL4049067 0.70 KDM1A (0.40)
SCHEMBL8413814 0.69 HRH3 (0.46) ITGB3ITGA2BITGA2
Hydrochloric Acid SCHEMBL8415510 0.68 FFAR4 (0.40) 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-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed