SCHEMBL31295225

SCHEMBL31295225

Cn1cc(CCCN2CCC(c3c[nH]c4ccccc34)C2)cn1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.58
▸ ADRA1D P25100 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ SLC6A4 P31645 1/20 0.54
▸ HTR1A P08908 1/20 0.48

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 SCHEMBL9046016 0.87 ADRA1D (0.60) CYP2D6ADRA1DKDM4EATMSLC6A4
SCHEMBL31295144 0.81 KDM4E (0.41) KDM4ESLC6A4
SCHEMBL31295254 0.79 ADRA1D (0.65) CYP2D6ADRA1DKDM4EATMSLC6A4
SCHEMBL31295162 0.79 ADRA1D (0.65) CYP2D6ADRA1DKDM4EATMSLC6A4
SCHEMBL31295137 0.79 ADRA1D (0.65) CYP2D6ADRA1DKDM4EATMSLC6A4
Hydrochloric Acid SCHEMBL9032172 0.79 ADRA1D (0.74) CYP2D6ADRA1DSLC6A4
SCHEMBL31295184 0.78 CYP2D6 (0.57) CYP2D6ADRA1DKDM4EATMSLC6A4
SCHEMBL31295295 0.78 CYP2D6 (0.59) CYP2D6ADRA1DKDM4EATMSLC6A4
SCHEMBL31295077 0.77 CYP2D6 (0.58) CYP2D6ADRA1DKDM4EATMSLC6A4
Hydrochloric Acid SCHEMBL9050891 0.77 ADRA1D (0.55) CYP2D6ADRA1DSLC6A4

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-119698412-A 5-HT2A receptor agonist, and preparation method and application thereof 上海翊石医药科技有限公司 2025-03-25 — — CN disclosed
WO-2025021120-A1 5-HT2A RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-01-30 — — WO disclosed
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