SCHEMBL10754712

SCHEMBL10754712

CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 1.00
▸ TH P07101 4/20 1.00
▸ HTR1A P08908 4/20 1.00
▸ DRD3 P35462 4/20 1.00
▸ DRD1 P21728 4/20 1.00
▸ HTR2A P28223 1/20 1.00
▸ KDM4E B2RXH2 2/20 0.81
▸ GMNN O75496 2/20 0.81
▸ LMNA P02545 2/20 0.81
▸ MAPT P10636 2/20 0.81
▸ HPGD P15428 2/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ GFER P55789 2/20 0.81
▸ PMP22 Q01453 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.81
▸ TDP1 Q9NUW8 2/20 0.81
▸ RGS12 O14924 1/20 0.81
▸ TP53 P04637 1/20 0.81
▸ CYP1A2 P05177 1/20 0.81

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
SCHEMBL1203698 1.00 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
SCHEMBL1203699 1.00 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
Hydrochloric Acid SCHEMBL10752801 0.99 DRD2 (0.98) DRD2THHTR1ADRD3DRD1
SCHEMBL15180898 0.93 DRD2 (0.87) DRD2THHTR1ADRD3DRD1
SCHEMBL1345058 0.90 DRD2 (0.82) DRD2THHTR1ADRD3DRD1
SCHEMBL1345853 0.90 DRD2 (0.82) DRD2THHTR1ADRD3DRD1
R-N-Propylnorapomorphine SCHEMBL13398114 0.90 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
R-N-Propylnorapomorphine SCHEMBL13487203 0.90 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
R-N-Propylnorapomorphine SCHEMBL29447877 0.90 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
R-N-Propylnorapomorphine SCHEMBL249729 0.90 DRD2 (1.00) DRD2THHTR1ADRD3DRD1

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
US-4687773-A PSYCHOLOGICAL DISORDERS MCLEAN HOSPITAL (US) 1987-08-18 — — US claimed
US-4687773-A PSYCHOLOGICAL DISORDERS MCLEAN HOSPITAL (US) 1987-08-18 — — US disclosed
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