SCHEMBL22701465

SCHEMBL22701465

O=N[C@@H](c1cc(Cl)cc2cncn12)C1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 19/20 0.65
TDO2 P48775 15/20 0.65
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2B6 P20813 1/20 0.31

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
SCHEMBL22701578 0.85 IDO1 (0.46) IDO1TDO2
SCHEMBL22701468 0.81 IDO1 (0.46) IDO1TDO2
SCHEMBL18137417 0.80 IDO1 (0.97) IDO1TDO2
SCHEMBL22701538 0.80 IDO1 (0.42) IDO1TDO2
SCHEMBL18132284 0.79 IDO1 (0.72) IDO1TDO2
SCHEMBL18132278 0.79 IDO1 (1.00) IDO1TDO2
SCHEMBL18132210 0.79 IDO1 (1.00) IDO1TDO2
SCHEMBL18137416 0.79 IDO1 (1.00) IDO1TDO2
SCHEMBL22701577 0.76 IDO1 (0.55) IDO1TDO2
SCHEMBL22701561 0.76 IDO1 (0.40) IDO1TDO2

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-3280715-B1 NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE LTD (KY) 2020-11-25 EP disclosed