SCHEMBL28363423

SCHEMBL28363423

CCn1ccc(Cc2ccc[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.35
▸ KAT8 Q9H7Z6 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL1856737 0.71 TP53 (0.41) MAOA
SCHEMBL79201 0.69 MAOA (0.47) MAOAKAT8DRD2DRD4DRD3
SCHEMBL21958205 0.68 MAOA (0.36) MAOAKAT8DRD2DRD4DRD3
SCHEMBL1108477 0.68 TAAR1 (0.50) MAOADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL27738317 0.68 TP53 (0.35) —
SCHEMBL23528212 0.67 DAO (0.44) MAOA
SCHEMBL21958196 0.67 HDAC1 (0.37) —
Bromide SCHEMBL29027395 0.66 MAOA (0.45) MAOAKAT8DRD2DRD4DRD3
SCHEMBL6284681 0.66 MAOA (0.45) MAOAKAT8DRD2DRD4DRD3
SCHEMBL30532125 0.66 MAOA (0.45) MAOAKAT8DRD2DRD4DRD3

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-110869348-B Pyrrole compound, perfume composition, and cosmetic containing the same 长谷川香料株式会社 2023-09-12 — — CN disclosed
CN-110869348-A Pyrrole compound, perfume composition, and food, drink and cosmetic containing same 长谷川香料株式会社 2020-03-06 — — CN disclosed
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