SCHEMBL8802003

SCHEMBL8802003

CCCCc1c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(=O)nc2n1C(C)(C)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 2/20 0.37
AGTR1 P30556 2/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
AGTR2 P50052 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
SCHEMBL9270320 0.91 AGTR1 (0.32) AGTR1LTB4R2AGTR2
SCHEMBL8800864 0.87
SCHEMBL8801692 0.86 SLC33A1 (0.38) SLC33A1AGTR1LTB4R2
SCHEMBL8672202 0.86 SLC33A1 (0.38) SLC33A1
SCHEMBL8801137 0.84 SLC33A1 (0.38) SLC33A1
SCHEMBL8801639 0.84 SLC33A1 (0.39) SLC33A1
SCHEMBL8801841 0.82 SLC33A1 (0.37) SLC33A1AGTR1LTB4R2
SCHEMBL8801815 0.82 SLC33A1 (0.37) SLC33A1AGTR1AGTR2
SCHEMBL8801884 0.82 SLC33A1 (0.40) SLC33A1
SCHEMBL8801784 0.81 AGTR1 (0.46) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680480-B1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY LUSO FARMACO INST (IT) 1997-07-30 EP claimed
WO-1994017067-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-08-04 WO claimed
EP-0800504-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
EP-0680480-B1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY LUSO FARMACO INST (IT) 1997-07-30 EP disclosed
WO-1994017067-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-08-04 WO disclosed