SCHEMBL7845327

SCHEMBL7845327

CC1CCC(OC(N)=O)(C(C)C)CC1.COc1cccc2c1[C@@H]1CCNC[C@H]1CO2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL7844871 0.80 HTR2C (0.38) HTR1A
SCHEMBL7844867 0.80 HTR2C (0.38) HTR1A
SCHEMBL7845324 0.79 ALDH1A1 (0.40)
SCHEMBL8100287 0.79 ALDH1A1 (0.40)
SCHEMBL8100295 0.79 ALDH1A1 (0.40)
SCHEMBL6218185 0.70 CYP19A1 (0.37) HTR1A
SCHEMBL6218182 0.70 CYP19A1 (0.37) HTR1A
SCHEMBL7835510 0.70 CYP19A1 (0.37) HTR1A
SCHEMBL7835513 0.70 CYP19A1 (0.37) HTR1A
SCHEMBL6218189 0.70 CYP19A1 (0.37) HTR1A

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-0942911-B1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LAB (US) 2001-10-17 EP disclosed