SCHEMBL9252380

SCHEMBL9252380

CC(N)C(N[C@@H](C)C(=O)C1NC(C(=O)O)Cc2ccccc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM7 Q14831 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
XIAP P98170 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL10585437 0.86 XIAP (0.31) TSHRNPSR1XIAP
SCHEMBL10490158 0.83 MAPT (0.45) MAPTGAATSHRNPSR1GRM7
SCHEMBL9410025 0.80 MAPT (0.42) MAPTGAATSHRNPSR1GRM7
SCHEMBL9247033 0.79 ACE (0.41) ACE
SCHEMBL10607562 0.79 ACE (0.56) ACE
SCHEMBL10607552 0.79 ACE (0.56) ACE
SCHEMBL9253808 0.79 ACE (0.56) ACE
SCHEMBL10404485 0.79 ACE (0.41) ACE
SCHEMBL10404480 0.79 ACE (0.41) ACE
SCHEMBL9252388 0.78 ACE (0.38) MAPTGAATSHRNPSR1ALDH1A1

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-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5162362-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed