SCHEMBL6602021

SCHEMBL6602021

CCCCOC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)Oc4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
SIGMAR1 Q99720 12/20 0.45
GRM2 Q14416 7/20 0.43

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
SCHEMBL6600829 0.93 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601403 0.92 ITGB3 (0.62) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601660 0.92 ITGB3 (0.59) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600475 0.91 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6603247 0.91 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601152 0.90 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600926 0.90 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6602801 0.88 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601254 0.88 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601206 0.87 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2

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-1451180-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE Astrazeneca AB (SE) 2004-09-01 EP claimed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO claimed
WO-2004087120-A2 USE OF QUINAZOLINE DERIVATIVES WITH SRC KINASE INHIBITORY ACTIVITY FOR THE TREATMENT OF HYPERTENSION ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed