SCHEMBL31290039

SCHEMBL31290039

NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 20/20 0.81
▸ CYP2C8 P10632 1/20 0.81
▸ CYP2D6 P10635 1/20 0.81
▸ CYP2C9 P11712 1/20 0.81
▸ ADRA2B P18089 1/20 0.81
▸ HTR2C P28335 1/20 0.81
▸ P2RX3 P56373 1/20 0.81
▸ SLC6A3 Q01959 1/20 0.81
▸ TMEM97 Q5BJF2 1/20 0.81
▸ P2RX7 Q99572 1/20 0.81

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
SCHEMBL18301854 1.00 P2RX4 (0.81) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL18301904 0.95 P2RX4 (0.82) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL31290163 0.95 P2RX4 (0.82) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL31290179 0.90 P2RX4 (0.75) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL31290056 0.90 P2RX4 (0.80) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL18301869 0.90 P2RX4 (0.80) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL18301944 0.90 P2RX4 (0.75) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
Bay-1797 SCHEMBL18301630 0.90 P2RX4 (1.00) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
Bay-1797 SCHEMBL31722451 0.90 P2RX4 (1.00) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
Bay-1797 SCHEMBL31290109 0.90 P2RX4 (1.00) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B

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
CN-119233829-A Pharmaceutical composition for preventing, inhibiting or treating symptoms associated with pseudoallergy 学校法人高崎健康福祉大学 2024-12-31 — — CN claimed
CN-119233829-A Pharmaceutical composition for preventing, inhibiting or treating symptoms associated with pseudoallergy 学校法人高崎健康福祉大学 2024-12-31 — — CN disclosed
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