SCHEMBL21177286

SCHEMBL21177286

NC(=O)c1cnc(CO)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.42
FAAH O00519 2/20 0.40
CES1 P23141 1/20 0.40
PIK3CG P48736 1/20 0.35
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 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
SCHEMBL23320163 0.82 PARP1 (0.40) FAAHCES1GABRPGABRDGABRA1
SCHEMBL21177772 0.82 FAAH (0.39) NOTUMFAAHCES1GABRPGABRD
SCHEMBL11777360 0.78 FAAH (0.37) FAAHCES1PARP1
SCHEMBL23337234 0.78 FAAH (0.52) FAAHCES1TSHRSMN1; SMN2
SCHEMBL31453785 0.78 PIK3CA (0.40) FAAHCES1PIK3CG
SCHEMBL1704958 0.77
SCHEMBL15123017 0.71
Hydrochloric Acid SCHEMBL29156127 0.71 FAAH (0.49) FAAHCES1ADORA3TSHRMC4R
SCHEMBL758594 0.71
SCHEMBL29099364 0.69 FAAH (0.36) FAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO claimed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed