SCHEMBL9853854

SCHEMBL9853854

CN(C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C1CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 11/20 0.76
▸ HTR1A P08908 4/20 0.76
▸ DRD2 P14416 4/20 0.76
▸ DRD4 P21917 4/20 0.76
▸ DRD5 P21918 4/20 0.76
▸ HTR1D P28221 4/20 0.76
▸ HTR1E P28566 4/20 0.76
▸ HTR7 P34969 4/20 0.76
▸ HRH1 P35367 4/20 0.76
▸ DRD3 P35462 4/20 0.76
▸ HTR2B P41595 4/20 0.76
▸ HTR5A P47898 4/20 0.76
▸ HTR6 P50406 4/20 0.76
▸ ADRB2 P07550 3/20 0.76
▸ ADRB1 P08588 3/20 0.76
▸ HTR2C P28335 2/20 0.76
▸ KDM4E B2RXH2 1/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ USP2 O75604 1/20 0.72
▸ MAPT P10636 1/20 0.72

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
SCHEMBL9853852 1.00 HTR2A (0.76) HTR2AHTR1ADRD2DRD4DRD5
Hydrochloric Acid SCHEMBL9853861 0.99 HTR2A (0.75) HTR2AHTR1ADRD2DRD4DRD5
SCHEMBL26265036 0.92 HTR2A (0.79) HTR2AHTR1ADRD2DRD4DRD5
SCHEMBL30886877 0.91 HTR2A (0.80) HTR2AHTR1ADRD2DRD4DRD5
SCHEMBL2469887 0.91 HTR2A (0.80) HTR2AHTR1ADRD2DRD4DRD5
SCHEMBL29556822 0.89 HTR2A (0.80) HTR2AHTR1ADRD2DRD4DRD5
SCHEMBL29556873 0.87 HTR2A (0.75) HTR2AHTR1ADRD2DRD4DRD5
SCHEMBL20970957 0.87 HTR2A (0.75) HTR2AHTR1ADRD2DRD4DRD5
SCHEMBL25545441 0.87 HTR2A (0.75) HTR2AHTR1ADRD2DRD4DRD5
SCHEMBL28377126 0.87 HTR2A (0.77) HTR2AHTR1ADRD2DRD4DRD5

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-0411494-A2 Ergoline derivatives having dopaminergic activity POLI INDUSTRIA CHIMICA S.p.A. (IT) 1991-02-06 — — EP disclosed
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