SCHEMBL9551335

SCHEMBL9551335

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.46
▸ KDM1A O60341 3/20 0.45
▸ MAOB P27338 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ KDM1B Q8NB78 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ CXCR4 P61073 1/20 0.43
▸ CALCRL Q16602 3/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ C5AR1 P21730 1/20 0.40

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
SCHEMBL30173901 0.96 ACE (0.44) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL31214780 0.93 EPHA2 (0.52) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30443975 0.91 ACE (0.45) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL31039948 0.91 CXCR4 (0.47) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30173928 0.91 EPHA2 (0.45) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30490593 0.89 OPRK1 (0.45) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL29743137 0.88 EPHA2 (0.50) EPHA2ACECXCR4CALCRLOPRM1
SCHEMBL29802056 0.88 OPRK1 (0.46) ACEOPRM1OPRK1
SCHEMBL30422984 0.88 ACE (0.47) ACECXCR4OPRM1OPRK1
SCHEMBL30973972 0.88 ACE (0.50) ACEOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34165-E Pentapeptide immunoregulators ORTHO PHARMACEUTICAL CORPORATION (US) 1993-01-19 — — US disclosed
US-4629723-A IMMUNOREGULATING PEPTIDES ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-16 — — US disclosed
EP-0166612-A2 Potent thymopentin analogs ORTHO PHARMACEUTICAL CORPORATION (US) 1986-01-02 — — EP disclosed
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