SCHEMBL13699301

SCHEMBL13699301

Cc1ccc(Cn2nnnc2-c2cccc(Cl)c2Cl)cn1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.72
TRPA1 O75762 1/20 0.72
SIGMAR1 Q99720 1/20 0.72

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
SCHEMBL12878440 0.87 P2RX7 (0.69) P2RX7TRPA1SIGMAR1
SCHEMBL1199855 0.87 P2RX7 (0.69) P2RX7TRPA1SIGMAR1
SCHEMBL5808815 0.84 P2RX7 (0.82) P2RX7TRPA1SIGMAR1
SCHEMBL29384490 0.84 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL29409600 0.84 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL5815398 0.84 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL13699266 0.84 P2RX7 (0.65) P2RX7TRPA1SIGMAR1
SCHEMBL5816280 0.83 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL3358157 0.83 P2RX7 (0.98) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL29481006 0.83 P2RX7 (0.98) P2RX7TRPA1SIGMAR1

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
WO-2009106564-A2 IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LIMITED (GB) 2009-09-03 WO disclosed