SCHEMBL18834259

SCHEMBL18834259

CC(C)S(=O)(=O)c1nc2c(n1Cc1ccc(Cl)cc1)C(=O)N(CCCO)C(O)N2C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 16/20 0.39
▸ TRPC5 Q9UL62 2/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL19505259 0.90 P2RX3 (0.39) P2RX3TRPC5TP53
SCHEMBL18835112 0.85 P2RX3 (0.36) P2RX3TRPC5TP53
SCHEMBL21499638 0.83 TBXA2R (0.33) P2RX3
SCHEMBL20432348 0.83 P2RX3 (0.40) P2RX3TRPC5TP53
SCHEMBL21316298 0.83 P2RX3 (0.46) P2RX3TRPC5TP53
SCHEMBL21499643 0.82 P2RX3 (0.45) P2RX3TRPC5
SCHEMBL21499690 0.82 P2RX3 (0.39) P2RX3TRPC5TP53
SCHEMBL18834374 0.82 P2RX3 (0.38) P2RX3TRPC5TP53
SCHEMBL21499648 0.81 TRPC4 (0.40) P2RX3TRPC5TP53
SCHEMBL21499689 0.80 PDE5A (0.41) P2RX3TRPC5TP53

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
Send feedback