SCHEMBL5801104

SCHEMBL5801104

CC(CC(=O)O)c1ccccc1NC(=O)C(N)CCCNC(=O)OCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
FAAH O00519 1/20 0.46
HDAC1 Q13547 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
CYP3A4 P08684 2/20 0.43
KDM1A O60341 1/20 0.43
F3 P13726 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
HTT P42858 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
SCHEMBL5801097 0.83 ANPEP (0.52) ANPEPFAAHHDAC1HDAC3HDAC2
SCHEMBL5801100 0.80 ANPEP (0.50) ANPEPFAAHHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL5654779 0.79 ANPEP (0.49) ANPEPFAAHHDAC1HDAC3HDAC2
SCHEMBL17154009 0.73 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC4HDAC7
Hydrochloric Acid SCHEMBL5739074 0.73 ANPEP (0.55) ANPEPDPP8DPP7HTTSLC1A3
SCHEMBL5737756 0.72 ANPEP (0.57) ANPEPDPP8DPP7HTTCTSL
Hydrochloric Acid SCHEMBL5653298 0.72 ANPEP (0.60) ANPEPDPP8DPP7HTTSLC1A3
Hydrochloric Acid SCHEMBL5654497 0.72 ANPEP (0.55) ANPEPDPP8DPP7HTTSLC1A3
Hydrochloric Acid SCHEMBL5654778 0.70 ANPEP (0.55) ANPEPDPP8DPP7HTTSLC1A3
SCHEMBL7765665 0.70 ANPEP (0.64) ANPEPHDAC1HDAC3HDAC2HDAC4

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
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed