SCHEMBL5801100

SCHEMBL5801100

COC(=O)CCc1ccccc1NC(=O)[C@@H](N)CCCNC(=O)OCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
FAAH O00519 1/20 0.46
HDAC1 Q13547 8/20 0.43
HDAC3 O15379 6/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC4 P56524 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
KDM1A O60341 1/20 0.43
CYP3A4 P08684 1/20 0.43
F3 P13726 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
FPR1 P21462 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL5654779 0.99 ANPEP (0.49) ANPEPFAAHHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL5654018 0.90 ANPEP (0.51) ANPEPALDH1A1DPP8DPP7
Hydrochloric Acid SCHEMBL5654778 0.90 ANPEP (0.55) ANPEPDPP8DPP7
Hydrochloric Acid SCHEMBL5653387 0.85 ANPEP (0.48) ANPEPKDM4EDPP8DPP7
SCHEMBL5655177 0.85 MAPT (0.44) FAAHHDAC1HDAC3HDAC2HDAC4
Hydrochloric Acid SCHEMBL5738774 0.85 ANPEP (0.46) ANPEPKMT2ADPP8DPP7
SCHEMBL5801097 0.85 ANPEP (0.52) ANPEPFAAHHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL5653036 0.85 ANPEP (0.47) ANPEPKMT2ADPP8DPP7
Hydrochloric Acid SCHEMBL5654569 0.84 ANPEP (0.47) ANPEPHDAC1HDAC3HDAC2HDAC4
Hydrochloric Acid SCHEMBL5655162 0.84 ANPEP (0.43) ANPEPCYP3A4ALDH1A1HPGDKMT2A

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