SCHEMBL7824628

SCHEMBL7824628

COc1nc2cc(Cl)c(Cl)c(-c3nncn3CCO)c2nc1OC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.33
HRH4 Q9H3N8 2/20 0.32

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
SCHEMBL7676533 0.83 HRH4 (0.36) P2RX7HRH4
SCHEMBL7676302 0.83 P2RX7 (0.33) P2RX7
SCHEMBL7678718 0.81 CYP1A2 (0.37) HRH4
SCHEMBL7681496 0.75 SMN1; SMN2 (0.43) HRH4
SCHEMBL7680475 0.72 HRH4 (0.36) HRH4
SCHEMBL7676250 0.70 HRH4 (0.31) HRH4
SCHEMBL7676249 0.70 HRH4 (0.36) HRH4
SCHEMBL7682669 0.70 TRPV1 (0.36)
SCHEMBL8784616 0.70 TLR8 (0.35) HRH4
SCHEMBL7682970 0.69 HRH4 (0.33) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed