SCHEMBL5063463

SCHEMBL5063463

C[C@@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N([N+]=O)c2ccccc2)NC(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
TACR1 P25103 9/20 0.44
PSMB9 P28065 1/20 0.42
XIAP P98170 1/20 0.41

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
SCHEMBL5062693 0.94 TACR1 (0.43) OPRM1TACR1PSMB9XIAP
SCHEMBL8205946 0.83 ACE (0.50) OPRM1PSMB9XIAP
SCHEMBL10895690 0.83 ELANE (0.42)
SCHEMBL7351756 0.80 TACR1 (0.52) OPRM1TACR1
SCHEMBL2029990 0.80 TACR1 (0.52) OPRM1TACR1PSMB9
SCHEMBL7641458 0.78 XIAP (0.44) OPRM1PSMB9XIAP
SCHEMBL7213508 0.77 TACR1 (0.49) OPRM1TACR1XIAP
SCHEMBL9540221 0.77 TACR1 (0.48) TACR1
SCHEMBL8333459 0.76 PSMB9 (0.47) TACR1PSMB9XIAP
SCHEMBL8664555 0.76 TACR1 (0.48) OPRM1TACR1XIAP

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-20080166370-A1 Immunogenic Compositions Comprising Multiple Gonococcal Antigens CHIRON SRL (IT) 2008-07-10 US disclosed