SCHEMBL9038200

SCHEMBL9038200

NCC1OC(CO)Cc2c1ccc(O)c2O

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 19/20 0.77
KDM4E B2RXH2 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL10379926 1.00 DRD1 (0.77) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7313177 0.99 DRD1 (0.75) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7445567 0.99 DRD1 (0.75) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL9038873 0.91 DRD1 (0.81) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL10381383 0.91 DRD1 (0.81) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7310108 0.90 DRD1 (0.79) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10380339 0.90 DRD1 (0.79) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL10381311 0.87 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL10380077 0.87 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL9040217 0.87 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP claimed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP claimed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP claimed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed