SCHEMBL20432487

SCHEMBL20432487

CCN1c2nc(OC3CCCC3)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 15/20 0.46
▸ PDE5A O76074 5/20 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
SCHEMBL21499718 0.90 P2RX3 (0.47) P2RX3
SCHEMBL21499684 0.87 P2RX3 (0.44) P2RX3PDE5A
SCHEMBL19375680 0.83 TRPC4 (0.46) P2RX3PDE5A
SCHEMBL20432416 0.83 P2RX3 (0.39) P2RX3PDE5A
SCHEMBL19375611 0.82 TRPC4 (0.41) P2RX3PDE5A
SCHEMBL18834422 0.82 P2RX3 (0.47) P2RX3
SCHEMBL19505233 0.80 P2RX3 (0.45) P2RX3PDE5A
SCHEMBL20432442 0.80 TRPC5 (0.48) P2RX3
SCHEMBL19505396 0.80 TRPC4 (0.41) P2RX3PDE5A
SCHEMBL19505394 0.80 TRPC5 (0.48) P2RX3

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-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
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