SCHEMBL7988917

SCHEMBL7988917

CN(CCc1nc(O)c2c(ncn2Cc2ccccc2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GBA1 P04062 1/20 0.35
PKM P14618 2/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7974025 0.94 HTR2C (0.39) HTR2CSLC6A4HPGDMCL1SMN1; SMN2
SCHEMBL7985457 0.91 HTR2C (0.46) HTR2CSLC6A4HPGDMCL1SMN1; SMN2
SCHEMBL7974177 0.85 MCL1 (0.41) HTR2CSLC6A4HPGDMCL1SMN1; SMN2
SCHEMBL7991605 0.84 HTR2C (0.41) HTR2CSLC6A4MCL1ALDH1A1PKM
SCHEMBL7987944 0.83 HTR2C (0.38) HTR2CSLC6A4HPGDMCL1SMN1; SMN2
SCHEMBL7988121 0.83 SMN1; SMN2 (0.41) HTR2CSLC6A4MCL1SMN1; SMN2GAA
SCHEMBL7985311 0.82 HTR2C (0.40) HTR2CSLC6A4MCL1ALDH1A1TSHR
SCHEMBL7992285 0.82 ABCC8 (0.41) HTR2CSLC6A4HPGDMCL1KMT2A
SCHEMBL7991662 0.82 HPGD (0.41) HPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL7974300 0.82 HTR2C (0.37) HTR2CSLC6A4HPGDMCL1ALDH1A1

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed