SCHEMBL17665331

SCHEMBL17665331

O[C@@H](C[C@H]1c2ccccc2-n2cncc21)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 19/20 0.61
TDO2 P48775 5/20 0.56
CYP3A4 P08684 4/20 0.53
CYP2D6 P10635 4/20 0.53
CYP2B6 P20813 4/20 0.53
CYP1A2 P05177 1/20 0.44

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
SCHEMBL16135356 1.00 IDO1 (0.61) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL17665329 1.00 IDO1 (0.61) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL17665332 1.00 IDO1 (0.61) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL17665330 1.00 IDO1 (0.61) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL16135397 0.99 IDO1 (0.60) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL16135347 0.89 TDO2 (0.55) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL16135374 0.87 TDO2 (0.53) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL17665472 0.87 IDO1 (0.47) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL16135337 0.85 TDO2 (0.51) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL16135345 0.84 TDO2 (0.52) IDO1TDO2CYP3A4CYP2D6CYP2B6

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
WO-2016051181-A1 4H-IMIDAZO[1,5-A]INDOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed