SCHEMBL28758609

SCHEMBL28758609

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ OPRM1 P35372 4/20 0.42
▸ OPRK1 P41145 4/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ GRB2 P62993 1/20 0.42
▸ F2 P00734 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
SCHEMBL7163251 0.93 MAPK8 (0.40) RENKDM1AMAPK8MAPK9MAPK10
SCHEMBL7163247 0.93 MAPK8 (0.40) RENKDM1AMAPK8MAPK9MAPK10
SCHEMBL31696260 0.91 GRB2 (0.44) RENKDM1AOPRM1OPRK1MAPK8
SCHEMBL31696335 0.89 KDM1A (0.54) RENKDM1AOPRM1OPRK1MAPK8
SCHEMBL31399255 0.88 REN (0.44) RENOPRM1GRB2F2
SCHEMBL29962469 0.88 REN (0.44) RENOPRM1F2
SCHEMBL3865485 0.88 MAPK8 (0.50) RENKDM1AOPRM1OPRK1MAPK8
SCHEMBL29669249 0.87 REN (0.45) RENOPRM1GRB2F2
SCHEMBL9120793 0.87 GHSR (0.41) RENKDM1A
SCHEMBL31385440 0.87 GHSR (0.41) RENKDM1A

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
CN-103404029-A Object detection system OMRON TATEISI ELECTRONICS CO 2013-11-20 — — CN disclosed
CN-102046222-A A hemodialysis or hemo(dia)filtration apparatus and a method for controlling a hemodialysis or hemo(dia)filtration apparatus GAMBRO LUNDIA AB 2011-05-04 — — CN disclosed
CN-100529348-C Exhaust treatment system for processing exhaust gas from an engine and monitoring method thereof GM GLOBAL TECH OPERATIONS INC (US) 2009-08-19 — — CN disclosed
CN-1873195-A Exhaust treatment diagnostic using a temperature sensor GM GLOBAL TECH OPERATIONS INC (US) 2006-12-06 — — CN disclosed
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