SCHEMBL30833186

SCHEMBL30833186

c1ccc2[nH]c(C3NCCc4c3[nH]c3ccccc43)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALDH1A1 P00352 1/20 0.59
DRD2 P14416 1/20 0.57
MAPKAPK2 P49137 1/20 0.52
GRIN2B Q13224 1/20 0.51
HTR2A P28223 6/20 0.49
HTR2C P28335 5/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRMT5 O14744 1/20 0.47
EGFR P00533 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
SCHEMBL30274351 0.80 HTR2A (0.74) HTR7CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL274149 0.78 HTR7 (1.00) HTR7CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30274448 0.77 HTR7 (0.62) HTR7CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30274356 0.74 HTR7 (0.70) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL998116 0.74 HTR7 (0.70) HTR7CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL20524868 0.74 HTR7 (0.61) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL23875880 0.73 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL7497502 0.73 HTR2A (0.76) HTR7CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL3709723 0.73 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL6786360 0.73 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2

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
CN-115260188-B Preparation method of tetrahydro-beta-carboline ketone compound 浙江理工大学 2024-04-02 CN disclosed