SCHEMBL7375179

SCHEMBL7375179

CCC(C)[C@@H](N)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.39
KMT2A Q03164 1/20 0.37
NTSR2 O95665 2/20 0.36
NTSR1 P30989 2/20 0.36
SORT1 Q99523 1/20 0.36
OPRM1 P35372 6/20 0.36
OPRK1 P41145 6/20 0.36
NPY1R P25929 2/20 0.36
NMUR2 Q9GZQ4 1/20 0.35
NMUR1 Q9HB89 1/20 0.35
TACR1 P25103 1/20 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
SCHEMBL219560 0.86 FKBP4 (0.41) KMT2ANTSR2NTSR1SORT1OPRM1
SCHEMBL5835132 0.86 FKBP4 (0.41) KMT2ANTSR2NTSR1SORT1OPRM1
SCHEMBL11439434 0.85 OPRM1 (0.46) OPRM1OPRK1
Hydrochloric Acid SCHEMBL6673589 0.85 FKBP4 (0.41) KMT2ANTSR2NTSR1SORT1OPRM1
Hydrochloric Acid SCHEMBL10448676 0.85 FKBP4 (0.41) KMT2ANTSR2NTSR1SORT1OPRM1
Hydrochloric Acid SCHEMBL4684622 0.85 FKBP4 (0.41) KMT2ANTSR2NTSR1SORT1OPRM1
SCHEMBL11429564 0.81 CPT1A (0.46) KMT2AOPRM1OPRK1TACR1
SCHEMBL29959591 0.80 XIAP (0.49) DPP7NTSR2NTSR1SORT1NPY1R
SCHEMBL10824651 0.79 GRB2 (0.36) OPRM1OPRK1NMUR2NMUR1
SCHEMBL10653187 0.79 GRB2 (0.43) DPP7NTSR2NTSR1SORT1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4861865-A Novel antithrombin peptide WASHINGTON UNIVERSITY (US) 1989-08-29 US disclosed