SCHEMBL9052001

SCHEMBL9052001

CCOCCc1cc2c(C(=O)OC)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KDM4E B2RXH2 3/20 0.40
RIPK1 Q13546 1/20 0.40
KIF11 P52732 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
NR4A2 P43354 3/20 0.40
CREBBP Q92793 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MPL P40238 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL7418911 0.88 MTNR1A (0.51) MTNR1AMTNR1BCDK5CDK5R1KDM4E
SCHEMBL16686988 0.85 MTNR1A (0.49) MTNR1AMTNR1BCDK5CDK5R1KDM4E
SCHEMBL7427823 0.82 MTNR1A (0.48) MTNR1AMTNR1BCDK5CDK5R1RIPK1
SCHEMBL7422802 0.78 ALOX5 (0.44) MTNR1AMTNR1BCDK5CDK5R1KDM4E
SCHEMBL10991306 0.75 CTSV (0.54) KDM4EHSD17B10MEN1KMT2A
SCHEMBL6993928 0.75 NR4A2 (0.46) MTNR1AMTNR1BCDK5CDK5R1NR4A2
SCHEMBL5851103 0.75 KDM4E (0.52) CDK5CDK5R1KDM4EKIF11PIM1
SCHEMBL28872605 0.74 CDK4 (0.42) MTNR1AMTNR1BCDK5CDK5R1KDM4E
SCHEMBL10984770 0.74 ALDH1A1 (0.57) KDM4EHSD17B10MEN1KMT2AL3MBTL1
SCHEMBL19644057 0.74 NR4A2 (0.51) CDK5CDK5R1KIF11PIM1PIM3

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
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed