SCHEMBL11582363

SCHEMBL11582363

CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.55
▸ PSMB9 P28065 5/20 0.55
▸ RAMP1 O60894 1/20 0.53
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ REN P00797 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48

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
SCHEMBL30443993 0.86 PSMB9 (0.54) CALCRLPSMB9RAMP1OPRM1OPRD1
SCHEMBL31122219 0.83 CALCRL (0.49) CALCRLPSMB9RAMP1OPRM1OPRD1
SCHEMBL2195454 0.82 OPRD1 (0.55) PSMB9OPRD1OPRK1REN
SCHEMBL30289679 0.82 SLC6A2 (0.58) CALCRLPSMB9RAMP1OPRM1OPRD1
SCHEMBL30001593 0.82 SLC6A2 (0.57) CALCRLPSMB9RAMP1OPRM1OPRD1
SCHEMBL30149883 0.81 CALCRL (0.56) CALCRLPSMB9RAMP1OPRM1OPRD1
SCHEMBL31323239 0.81 CALCRL (0.56) CALCRLPSMB9RAMP1OPRM1OPRD1
SCHEMBL31191391 0.81 OPRD1 (0.53) CALCRLRAMP1OPRM1OPRD1OPRK1
SCHEMBL31670606 0.81 ACE (0.49) CALCRLPSMB9RAMP1OPRM1OPRD1
SCHEMBL22623411 0.81 XIAP (0.62) CALCRLOPRM1OPRD1OPRK1

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-4102877-A REACTION OF AN OLIGOPEPTIDE WITH ISOPROPYLCARBODIIMIDE BOND TO POLYSTYRENE MERCK & CO., INC. (US) 1978-07-25 — — US claimed
US-4102877-A REACTION OF AN OLIGOPEPTIDE WITH ISOPROPYLCARBODIIMIDE BOND TO POLYSTYRENE MERCK & CO., INC. (US) 1978-07-25 — — US disclosed
Send feedback