SCHEMBL18834622

SCHEMBL18834622

CC(C)c1cccc(-c2nc3c(n2Cc2ccc(Cl)cn2)C(=O)N(CCCO)[C@H](O)N3C)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.35
▸ TRPC5 Q9UL62 3/20 0.33
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ PPARG P37231 1/20 0.30

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
SCHEMBL19505043 0.91 TRPC5 (0.37) P2RX3TRPC5CCNCCDK8
SCHEMBL21499708 0.90 COMT (0.33) P2RX3TRPC5CCNCCDK8
SCHEMBL18835240 0.85 TRPC5 (0.47) P2RX3TRPC5
SCHEMBL19375051 0.84 MDM2 (0.38) P2RX3
SCHEMBL18834470 0.82 TRPC5 (0.35) P2RX3TRPC5
SCHEMBL18834542 0.81 P2RX3 (0.31) P2RX3
SCHEMBL19375606 0.76 P2RX3 (0.37) P2RX3TRPC5
SCHEMBL16027648 0.76 TRPC5 (0.48) TRPC5
SCHEMBL30171300 0.76 TRPC5 (0.48) TRPC5
SCHEMBL21316348 0.75 ALDH1A1 (0.40) TRPC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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