SCHEMBL31295233

SCHEMBL31295233

N#CCCCN1CC(c2c[nH]c3ccccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 4/20 0.55
▸ SLC6A4 P31645 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ADRB2 P07550 1/20 0.47
▸ HTR2C P28335 1/20 0.47

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
SCHEMBL31295115 0.90 CYP2D6 (0.65) ADRA1DSLC6A4KDM4EATMCYP2D6
SCHEMBL31295270 0.78 ADRA1D (0.57) ADRA1DSLC6A4KDM4EATMCYP2D6
SCHEMBL24736335 0.75 KDM4E (0.77) ADRA1DKDM4EATMCYP2D6ADRB2
SCHEMBL9673915 0.75 ADRA1D (0.63) ADRA1DSLC6A4KDM4EATMCYP2D6
Hydrochloric Acid SCHEMBL7259157 0.74 ADRA1D (0.90) ADRA1DSLC6A4CYP2D6
SCHEMBL31295196 0.73 HTR1A (0.50) ADRA1DSLC6A4KDM4EATM
SCHEMBL7260105 0.72 ADRA1D (0.74) ADRA1DSLC6A4
SCHEMBL31295155 0.72 ADRA1D (0.48) ADRA1DSLC6A4KDM4EATMCYP2D6
SCHEMBL14411857 0.72 KDM4E (0.59) ADRA1DSLC6A4KDM4EATMCYP2D6
SCHEMBL14306777 0.72 ADRA1D (0.80) ADRA1DSLC6A4KDM4EATMCYP2D6

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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