SCHEMBL7411595

SCHEMBL7411595

CC(C)(C)OC(=O)N1CCC(COc2ccc(C3CC(CCC(=O)O)ON3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.46
CHEK2 O96017 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
FAAH O00519 1/20 0.43
CSF1R P07333 1/20 0.42
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL7372389 0.91 GPR119 (0.44) GPR119CHEK2FAAHCSF1RHDAC1
SCHEMBL7371808 0.91 CHEK2 (0.46) GPR119CHEK2ITGB3ITGA2BCSF1R
SCHEMBL7835827 0.87 CHEK2 (0.45) GPR119CHEK2CSF1RHDAC1
SCHEMBL7372351 0.85 GPR119 (0.51) GPR119CHEK2ITGB3ITGA2BFAAH
SCHEMBL7371502 0.81 ITGB3 (0.58) CHEK2ITGB3ITGA2B
SCHEMBL7411472 0.81 GPR119 (0.50) GPR119CHEK2FAAHCSF1R
SCHEMBL7411590 0.79 ITGB3 (0.69) GPR119CHEK2ITGB3ITGA2BFAAH
SCHEMBL3249170 0.75 KDM4E (0.61) GPR119CHEK2CSF1RKDM4EPKM
SCHEMBL65285 0.74 GPR119 (0.59) GPR119CHEK2HDAC1KDM4EPKM
SCHEMBL12834985 0.74 GPR119 (0.58) GPR119CHEK2CSF1RHDAC1KDM4E

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-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 EP disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO disclosed