SCHEMBL6930798

SCHEMBL6930798

CC(=O)NC1CC(NC(C)=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.54
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.40
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6924104 1.00 PTGDR2 (0.54) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL7526613 0.90 PTGDR2 (0.50) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL24015488 0.90 PTGDR2 (0.50) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL15578425 0.89 PTGDR2 (0.52) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL13165574 0.88 MTNR1A (0.47) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL8457592 0.87 PTGDR2 (0.48) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL10192244 0.84 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL24011021 0.84 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL10246689 0.84 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL8503088 0.83 PTGDR2 (0.45) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865276-A4 POLYAMINE DERIVATIVES OF 1-AMINOINDAN GILAD GAD (IL) 2003-07-30 EP claimed
EP-0865276-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN Gilad, Gad (IL) 1998-09-23 EP claimed
WO-1997002027-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-01-23 WO claimed
EP-0865276-A4 POLYAMINE DERIVATIVES OF 1-AMINOINDAN GILAD GAD (IL) 2003-07-30 EP disclosed
EP-0865276-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN Gilad, Gad (IL) 1998-09-23 EP disclosed
US-5646188-A FOR TREATING NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-07-08 US disclosed
WO-1997002027-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-01-23 WO disclosed