SCHEMBL25997020

SCHEMBL25997020

Cc1ccc(C#CCCN2CCCCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.50
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL1864727 0.82 HRH3 (0.63) HRH3
SCHEMBL25357192 0.80 HRH3 (0.47) HRH3DRD2DRD4DRD3KMT2A
SCHEMBL31360978 0.77 MCHR1 (0.46) HRH3DRD2DRD4DRD3KMT2A
SCHEMBL29550640 0.73 HRH3 (0.52) HRH3KMT2A
SCHEMBL15759178 0.72 CYP1A2 (0.56) HRH3DRD2DRD4DRD3
SCHEMBL15198045 0.71 CYP1A2 (0.68) HRH3
SCHEMBL25782607 0.70 HRH3 (0.55) HRH3DRD2DRD4DRD3
SCHEMBL1535553 0.70 GRM5 (0.50) —
SCHEMBL25997024 0.69 HRH3 (0.45) HRH3DRD2DRD4DRD3
SCHEMBL82422 0.69 HRH3 (0.67) HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219499-A1 A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-08-02 — — EP disclosed
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