SCHEMBL8449552

SCHEMBL8449552

O=C(OCc1ccccc1)C(CCc1ccccc1)CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.50
TACR1 P25103 2/20 0.50
MME P08473 7/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
F2 P00734 1/20 0.43
CASP1 P29466 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
PTGES O14684 1/20 0.40
MC4R P32245 2/20 0.40
MC5R P33032 2/20 0.40
MC3R P41968 2/20 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
SCHEMBL7573808 0.95 ACE (0.56) ACETACR1MMECTSLCTSB
SCHEMBL7573818 0.95 ACE (0.56) ACETACR1MMECTSLCTSB
SCHEMBL8451268 0.89 MME (0.46) ACETACR1MMECTSLPTGES
SCHEMBL8450193 0.89 TACR1 (0.52) ACETACR1MMECTSLCTSB
SCHEMBL27464504 0.88 ACE (0.60) ACETACR1MMECTSLCTSB
SCHEMBL8446481 0.86 MME (0.62) ACETACR1MMECTSLCTSB
SCHEMBL7569373 0.85 ACE (0.64) ACEMMEPTPN2PTPN1CDC25B
SCHEMBL7569381 0.85 ACE (0.64) ACEMMEPTPN2PTPN1CDC25B
SCHEMBL8447138 0.85 MME (0.58) ACETACR1MMECTSLCTSB
SCHEMBL7567864 0.85 ACE (0.51) ACEMMEPTPN1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed