SCHEMBL10867950

SCHEMBL10867950

COC(=O)OC1=C(N)CCN(CCc2c[nH]c3ccccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.49
▸ DRD2 P14416 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL10866946 0.90 SMN1; SMN2 (0.47) HTR2ADRD2DRD3HTR1ASLC6A4
SCHEMBL10871232 0.89 HTR2A (0.50) HTR2ADRD2DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL10867806 0.88 HTR2A (0.49) HTR2ADRD2DRD3HTR1ASLC6A4
SCHEMBL10866968 0.84 HTR2A (0.50) HTR2ADRD2DRD3HTR1AADRA2A
SCHEMBL10867065 0.83 HTR1A (0.54) HTR2ADRD2DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL10867944 0.83 HTR1A (0.53) HTR2ADRD2DRD3HTR1ASLC6A4
SCHEMBL10869866 0.80 HTR2A (0.51) HTR2ADRD2DRD3HTR1ASLC6A4
SCHEMBL10872139 0.80 HTR2A (0.51) HTR2ADRD2DRD3HTR1AADRA2A
Hydrochloric Acid SCHEMBL10870609 0.79 HTR2A (0.50) HTR2ADRD2DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL10867337 0.79 SMN1; SMN2 (0.47) HTR2ADRD2DRD3HTR1ASLC6A4

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
EP-0187122-A2 1,3,4-Trisubstituted azacycloalkanes or azacycloalkenes CIBA-GEIGY AG (CH) 1986-07-09 — — EP claimed
EP-0187122-A2 1,3,4-Trisubstituted azacycloalkanes or azacycloalkenes CIBA-GEIGY AG (CH) 1986-07-09 — — EP disclosed
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