SCHEMBL3382094

SCHEMBL3382094

COc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(C(=O)O)cc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.72
MTNR1B P49286 4/20 0.72
POLB P06746 4/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.60
MDM2 Q00987 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 9/20 0.60
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
HTT P42858 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
AKR1C2 P52895 1/20 0.59
PTPN5 P54829 1/20 0.58
LMNA P02545 3/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
ALOX12 P18054 2/20 0.56
NQO2 P16083 2/20 0.55

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
SCHEMBL3227065 0.94 MTNR1A (0.77) MTNR1AMTNR1BPOLBALDH1A1KDM4E
SCHEMBL3228696 0.90 MTNR1A (0.71) MTNR1AMTNR1BPOLBMAPTKMT2A
SCHEMBL3264594 0.90 MTNR1A (0.71) MTNR1AMTNR1BPOLBALDH1A1MAPT
SCHEMBL3384980 0.88 MEN1 (0.61) MTNR1AMTNR1BPOLBMAPTKMT2A
SCHEMBL3235282 0.87 MTNR1A (0.69) MTNR1AMTNR1BPOLBALDH1A1KDM4E
SCHEMBL3384642 0.85 MTNR1A (0.64) MTNR1AMTNR1BPOLBMAPTKMT2A
SCHEMBL3227925 0.85 MTNR1A (0.69) MTNR1AMTNR1BPOLBALDH1A1KDM4E
SCHEMBL31543713 0.84 MTNR1A (1.00) MTNR1AMTNR1BPOLBALDH1A1KDM4E
SCHEMBL8946916 0.84 MTNR1A (1.00) MTNR1AMTNR1BPOLBALDH1A1KDM4E
SCHEMBL3384994 0.83 MAPT (0.68) MTNR1AMTNR1BPOLBALDH1A1HPGD

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-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed