SCHEMBL4751198

SCHEMBL4751198

Oc1cccc(-c2cocn2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 11/20 0.58
HSD17B2 P37059 10/20 0.58
SCN9A Q15858 2/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
METAP2 P50579 1/20 0.46
PIK3CA P42336 2/20 0.44
FYN P06241 2/20 0.43
CYP19A1 P11511 1/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42

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
SCHEMBL8007463 0.84 ESR1 (0.57) HSD17B1HSD17B2SCN9ACYP3A4CYP2C9
SCHEMBL14564377 0.79 SCN9A (0.62) SCN9A
SCHEMBL6202100 0.78 SCN9A (0.56) SCN9A
SCHEMBL17794305 0.78 SCN9A (0.53) SCN9AMETAP2
SCHEMBL1354826 0.78 SCN9A (0.53) SCN9AMETAP2
SCHEMBL10263248 0.78 SCN9A (0.53) SCN9AMETAP2ATP4AATP4B
SCHEMBL30370470 0.78 SCN9A (0.53) SCN9ACYP19A1
SCHEMBL6166963 0.77 KMO (0.53) SCN9A
SCHEMBL16159336 0.76 SCN9A (0.55) HSD17B1HSD17B2SCN9ACYP3A4CYP2C9
SCHEMBL1186172 0.76 ESR1 (0.46) HSD17B1HSD17B2SCN9A

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-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed