SCHEMBL27320352

SCHEMBL27320352

COC(=O)c1cc2ccccc2n1C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KMT2A Q03164 1/20 0.39
NR1H2 P55055 8/20 0.38
NR1H3 Q13133 2/20 0.37
CNR2 P34972 3/20 0.35

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
SCHEMBL27311008 0.89 MTNR1A (0.42) MTNR1AMTNR1BKMT2ANR1H2NR1H3
SCHEMBL27320350 0.74 MTNR1A (0.54) MTNR1AMTNR1BKMT2ACNR2
SCHEMBL27311007 0.73 MTNR1A (0.50) MTNR1AMTNR1BKMT2ACNR2
SCHEMBL7881984 0.73 ALDH1A1 (0.50) MTNR1AMTNR1BKMT2ACNR2
SCHEMBL11687003 0.73 KMT2A (0.45) MTNR1AMTNR1BKMT2ANR1H2NR1H3
SCHEMBL7943776 0.72 KDM4E (0.36)
SCHEMBL18537881 0.71 NR1H2 (0.53) MTNR1AMTNR1BNR1H2NR1H3
SCHEMBL19410240 0.68 KMT2A (0.52) MTNR1AMTNR1BKMT2ANR1H2CNR2
SCHEMBL28812065 0.68 MTNR1A (0.50) MTNR1AMTNR1BKMT2A
SCHEMBL7879892 0.68 MTNR1A (0.69) MTNR1AMTNR1BKMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed