SCHEMBL29005442

SCHEMBL29005442

O=C(Cc1ccccc1Cl)Nc1ccnc(N(C(=O)CCC(=O)N(c2cc(NC(=O)Cc3ccc(F)cc3Cl)ccn2)c2ccccc2Cl)c2ccccc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.53
ANO1 Q5XXA6 11/20 0.48
KCNJ5 P48544 3/20 0.45
KCNJ3 P48549 3/20 0.45
RORA P35398 1/20 0.44
NR2E1 Q9Y466 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL29005443 0.91 P2RX4 (0.62) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL30285710 0.89 P2RX4 (0.61) P2RX4ANO1RORANR2E1
SCHEMBL26186535 0.89 P2RX4 (0.61) P2RX4ANO1RORANR2E1
SCHEMBL29005405 0.88 P2RX4 (0.53) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL26186569 0.86 P2RX4 (0.63) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL29005473 0.85 P2RX4 (0.62) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL26186539 0.84 P2RX4 (0.61) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL30285805 0.84 P2RX4 (0.61) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL25371065 0.83 P2RX4 (0.69) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL29005387 0.83 P2RX4 (0.67) P2RX4ANO1KCNJ5KCNJ3RORA

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
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 CN claimed