SCHEMBL18691775

SCHEMBL18691775

CCOC(=O)c1nc2ccncc2n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ OGFRL1 Q5TC84 7/20 0.43
▸ OPRM1 P35372 4/20 0.43
▸ OPRK1 P41145 4/20 0.43
▸ OPRD1 P41143 3/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL18691774 0.90 ELANE (0.47) ELANEADORA3OGFRL1OPRM1OPRK1
SCHEMBL2783058 0.83 OGFRL1 (0.56) ADORA3OGFRL1OPRM1OPRK1OPRD1
SCHEMBL18691758 0.81 HDAC6 (0.42) OGFRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL18691789 0.80 TP53 (0.39) OGFRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL3346273 0.79 MAPT (0.49) ELANEADORA3OGFRL1OPRM1OPRK1
SCHEMBL15147594 0.79 TARBP2 (0.48) ADORA3OGFRL1OPRM1OPRK1OPRD1
SCHEMBL15147620 0.75 OGFRL1 (0.44) ELANEADORA3OGFRL1OPRM1OPRK1
SCHEMBL18691786 0.74 LMNA (0.60) CSF1RKDM4EALDH1A1TSHRHSD17B10
SCHEMBL18691772 0.74 ADORA3 (0.49) ELANEADORA3KDM4ERXFP1ALDH1A1
SCHEMBL18691767 0.74 ALDH1A1 (0.53) KDM4EALDH1A1GABRA5TSHRHSD17B10

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-2247292-B1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2017-04-12 — — EP disclosed
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