SCHEMBL8519951

SCHEMBL8519951

C[C@H](CS)C(=O)N1CCC[C@]1(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
REN P00797 1/20 0.43
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.43
PEPD P12955 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH1 P35367 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL11605557 1.00 ACE (0.43) ACEKDM4EF2RENLMNA
SCHEMBL11605553 1.00 ACE (0.43) ACEKDM4EF2RENLMNA
SCHEMBL8396582 0.84 DPP4 (0.38)
SCHEMBL30040159 0.82 DPP4 (0.36)
SCHEMBL11605320 0.80 ACE (0.40) ACE
Hydrochloric Acid SCHEMBL5570670 0.76 ACE (0.39) ACEKDM4EF2RENLMNA
Hydrochloric Acid SCHEMBL5569215 0.76 ACE (0.39) ACEKDM4EF2RENLMNA
SCHEMBL4326048 0.74 ACE (0.36) ACE
SCHEMBL11603642 0.74 ACE (0.36) ACE
SCHEMBL2451197 0.74 FFAR3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491061-B1 Use of N-(aminoacyl)-amino acids for preparing dopaminergic and gonadotropic medicaments. WETH GOSBERT DR MED DR RER NAT (DE) 1999-06-09 EP claimed
EP-0498899-B1 Use of N-(mercaptoacyl)-amino acids as dopaminergic und gonadoptropic medicaments WETH GOSBERT DR MED DR RER NAT (DE) 1998-10-07 EP claimed
EP-0498899-A1 Use of N-(mercaptoacyl)-amino acids as dopaminergic und gonadoptropic medicaments Weth, Gosbert Dr. med., Dr. rer. nat. (DE) 1992-08-19 EP claimed
EP-0498899-B1 Use of N-(mercaptoacyl)-amino acids as dopaminergic und gonadoptropic medicaments WETH GOSBERT DR MED DR RER NAT (DE) 1998-10-07 EP disclosed
EP-0498899-A1 Use of N-(mercaptoacyl)-amino acids as dopaminergic und gonadoptropic medicaments Weth, Gosbert Dr. med., Dr. rer. nat. (DE) 1992-08-19 EP disclosed
EP-0498899-A1 Use of N-(mercaptoacyl)-amino acids as dopaminergic und gonadoptropic medicaments Weth, Gosbert Dr. med., Dr. rer. nat. (DE) 1992-08-19 EP disclosed