SCHEMBL8723905

SCHEMBL8723905

CC(=O)OC(=O)CNC1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
DPP4 P27487 1/20 0.43
PRMT5 O14744 5/20 0.43
GRIN2B Q13224 2/20 0.41
MAPT P10636 1/20 0.41
GRM7 Q14831 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL7432153 0.85 PRMT5 (0.50) MTNR1AMTNR1BDPP4PRMT5GRIN2B
SCHEMBL13981017 0.82 MTNR1A (0.51) MTNR1AMTNR1BDPP4PRMT5GRIN2B
SCHEMBL6262070 0.81 EPHX2 (0.47) MTNR1AMTNR1BDPP4PRMT5GRIN2B
SCHEMBL7334700 0.81 MTNR1A (0.47) MTNR1AMTNR1BDPP4PRMT5GRIN2B
Hydrochloric Acid SCHEMBL7334726 0.80 MTNR1A (0.46) MTNR1AMTNR1BDPP4PRMT5GRIN2B
Hydrochloric Acid SCHEMBL10493763 0.80 EPHX2 (0.46) MTNR1AMTNR1BDPP4PRMT5GRIN2B
SCHEMBL10204444 0.79 MTNR1A (0.53) MTNR1AMTNR1BDPP4PRMT5GRIN2B
SCHEMBL29434614 0.76 GRIN2B (0.53) MTNR1AMTNR1BDPP4PRMT5GRIN2B
SCHEMBL255286 0.76 GRIN2B (0.53) MTNR1AMTNR1BDPP4PRMT5GRIN2B
SCHEMBL7301279 0.76 ALDH1A1 (0.50) GRIN2BSIGMAR1

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
US-5834431-A Des-Arg9 -BK antagonists CORTECH, INC. (US) 1998-11-10 US disclosed
US-5648336-A POLYPEPTIDE AND INDANEGLYCINE DERIVATIVES AS ANTIINFLAMMATORY AND HYPOTENSIVES UNIVERSITY OF COLORADO (US) 1997-07-15 US disclosed
WO-1997009346-A1 DES-ARG9-BK ANTAGONISTS CORTECH, INC. (US) 1997-03-13 WO disclosed
WO-1996016081-A1 BRADYKININ ANTAGONIST PEPTIDES CONTAINING INDANE-SUBSTITUTED AMINO ACIDS UNIVERSITY TECHNOLOGY CORPORATION (US) 1996-05-30 WO disclosed