SCHEMBL10345668

SCHEMBL10345668

COc1ccc(C2CNCCc3cc(OC)c(SCc4ccccc4)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 16/20 0.57
DRD5 P21918 6/20 0.57
DRD2 P14416 8/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
ADCY5 O95622 2/20 0.45
ADCY6 O43306 1/20 0.45
ADCY3 O60266 1/20 0.45
ADCY9 O60503 1/20 0.45
ADCY8 P40145 1/20 0.45
ADCY7 P51828 1/20 0.45
ADCY2 Q08462 1/20 0.45
ADCY1 Q08828 1/20 0.45
ADCY4 Q8NFM4 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL10746124 0.83 DRD1 (0.57) DRD1DRD5DRD2KDM4EHPGD
SCHEMBL10747041 0.80 DRD1 (0.71) DRD1DRD5DRD2KDM4EHPGD
Hydrochloric Acid SCHEMBL10745663 0.79 DRD1 (0.69) DRD1DRD5DRD2KDM4EHPGD
SCHEMBL7620194 0.77 DRD1 (0.81) DRD1DRD5DRD2KDM4EHPGD
SCHEMBL7621209 0.77 DRD1 (0.81) DRD1DRD5DRD2KDM4EHPGD
SCHEMBL7320752 0.77 DRD1 (0.81) DRD1DRD5DRD2KDM4EHPGD
SCHEMBL10345635 0.77 HTR2C (0.64) DRD1DRD5DRD2ADCY5
SCHEMBL10748210 0.76 DRD1 (0.67) DRD1DRD5DRD2KDM4EHPGD
SCHEMBL10748260 0.75 DRD1 (0.57) DRD1DRD5DRD2KDM4EHPGD
Hydrochloric Acid SCHEMBL10744987 0.75 DRD1 (0.66) DRD1DRD5DRD2KDM4EHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230755-B1 1-PHENYL-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-05-16 EP disclosed
US-4707483-A 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed
EP-0230755-A1 1-Phenyl-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-08-05 EP disclosed