SCHEMBL27330179

SCHEMBL27330179

Cc1cc(=O)n(C)c2c1CNC2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 8/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP19A1 P11511 8/20 0.34
▸ MCHR1 Q99705 9/20 0.34
▸ YTHDF2 Q9Y5A9 1/20 0.33
▸ NOX4 Q9NPH5 1/20 0.32

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
Hydrochloric Acid SCHEMBL31245581 0.98 NQO2 (0.36) NQO2KDM4ECYP19A1MCHR1YTHDF2
SCHEMBL11830593 0.73 RXFP1 (0.44) NQO2KDM4ECYP19A1
Hydrochloric Acid SCHEMBL31245595 0.69 NQO2 (0.33) NQO2KDM4ECYP19A1YTHDF2
Hydrochloric Acid SCHEMBL31245622 0.68 — —
Hydrochloric Acid SCHEMBL31245617 0.66 NQO2 (0.33) NQO2KDM4ECYP19A1YTHDF2
SCHEMBL27404791 0.66 — —
Hydrochloric Acid SCHEMBL31245596 0.64 — —
Hydrochloric Acid SCHEMBL31245597 0.64 — —
SCHEMBL9919110 0.64 ADORA3 (0.42) KDM4EMCHR1
Hydrochloric Acid SCHEMBL31233821 0.64 BRPF1 (0.33) —

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
WO-2024130064-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. (US) 2024-06-20 — — WO disclosed
WO-2024130066-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. (US) 2024-06-20 — — WO disclosed
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