SCHEMBL9504316

SCHEMBL9504316

CCC1CCC2C[C@H](OC(=O)c3cc(Nc4ccc(Cl)cc4)c4c(c3N)C(=O)c3ccccc3C4=O)CC[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 10/20 0.42
P2RY2 P41231 8/20 0.41
P2RY12 Q9H244 5/20 0.40
PHLPP2 Q6ZVD8 1/20 0.39
GNG2 P59768 2/20 0.39
GNB1 P62873 2/20 0.39
ENTPD1 P49961 2/20 0.37
P2RY6 Q15077 2/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37

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
SCHEMBL9504308 1.00 P2RY4 (0.42) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9501667 0.92 P2RY4 (0.43) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9501672 0.92 P2RY4 (0.43) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9503056 0.89 P2RY4 (0.45) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9503060 0.89 P2RY4 (0.45) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9503138 0.89 P2RY2 (0.46) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9503145 0.89 P2RY2 (0.46) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9501646 0.88 P2RY4 (0.44) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9501642 0.88 P2RY4 (0.44) P2RY4P2RY2P2RY12PHLPP2GNG2
SCHEMBL9503001 0.84 ADORA2A (0.38)

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
EP-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed
US-4883611-A ANTHRAQUINONE COMPOUND CONTAINING DECAHYDRONAPHTHYL GROUP MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-11-28 US disclosed
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed