SCHEMBL7746384

SCHEMBL7746384

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
FKBP4 Q02790 1/20 0.55
TACR1 P25103 1/20 0.54
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
PSMB9 P28065 1/20 0.49

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
SCHEMBL6058133 0.93 OPRM1 (0.56) FKBP4TACR1OPRM1OPRD1OPRK1
SCHEMBL3667052 0.93 FKBP4 (0.58) KMT2AFKBP4TACR1OPRM1OPRD1
SCHEMBL7076149 0.91 FKBP4 (0.56) FKBP4TACR1OPRM1OPRD1OPRK1
SCHEMBL3277774 0.90 FKBP4 (0.57) KMT2AFKBP4TACR1OPRM1OPRD1
SCHEMBL5501048 0.87 TACR1 (0.47) KMT2AFKBP4TACR1PSMB9
SCHEMBL7048929 0.85 TACR1 (0.51) KMT2AFKBP4TACR1PSMB9
SCHEMBL11103910 0.85 FKBP4 (0.58) KMT2AFKBP4TACR1OPRM1OPRD1
SCHEMBL1295326 0.85 F2 (0.54) FKBP4TACR1OPRM1OPRD1OPRK1
SCHEMBL27843840 0.85 F2 (0.54) FKBP4TACR1OPRM1OPRD1OPRK1
SCHEMBL14027241 0.83 FKBP4 (0.65) FKBP4TACR1OPRM1OPRD1OPRK1

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
WO-2001042245-A1 NEUROTROPHIC BICYCLIC DIAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-14 WO disclosed