SCHEMBL10866968

SCHEMBL10866968

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ ADRA1D P25100 1/20 0.48
▸ ADRA1A P35348 1/20 0.48

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
SCHEMBL10871232 0.91 HTR2A (0.50) HTR2AMEN1KMT2ARAB9AHPGD
Hydrochloric Acid SCHEMBL10867806 0.90 HTR2A (0.49) HTR2AMEN1KMT2ARAB9AHPGD
SCHEMBL10871125 0.90 SMN1; SMN2 (0.51) HTR2AMEN1KMT2ARAB9AHPGD
SCHEMBL10867065 0.85 HTR1A (0.54) HTR2ADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL10867944 0.84 HTR1A (0.53) HTR2ADRD2DRD3HTR1A
SCHEMBL10867950 0.84 HTR2A (0.49) HTR2AMEN1KMT2ARAB9AHPGD
SCHEMBL10867780 0.82 KMT2A (0.50) MEN1KMT2ARAB9AALDH1A1LMNA
Hydrochloric Acid SCHEMBL10867337 0.80 SMN1; SMN2 (0.47) HTR2AMEN1KMT2ARAB9AALDH1A1
SCHEMBL10868177 0.79 HTR2A (0.52) HTR2AMEN1KMT2ARAB9AALDH1A1
SCHEMBL10869866 0.79 HTR2A (0.51) HTR2AMEN1KMT2ARAB9AHPGD

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