SCHEMBL7445783

SCHEMBL7445783

OC(CBr)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.32

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
SCHEMBL4946873 0.76 TP53 (0.38) CYP2C9HSD11B1
SCHEMBL5597866 0.76 CYP2C9 (0.36) CYP2C9HSD11B1
Ammonia Solution, Strong SCHEMBL353658 0.70 EPHX1 (0.31)
SCHEMBL353657 0.68
SCHEMBL3279703 0.67 CYP2C9 (0.41) CYP2C9HSD11B1
SCHEMBL3279708 0.67 CYP2C9 (0.41) CYP2C9HSD11B1
SCHEMBL679325 0.67 CYP2C9 (0.41) CYP2C9HSD11B1
SCHEMBL2995688 0.67 CYP2C9 (0.41) CYP2C9HSD11B1
SCHEMBL5404359 0.65 CYP2C9 (0.33) CYP2C9HSD11B1
SCHEMBL354106 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
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
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed