SCHEMBL7313729

SCHEMBL7313729

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)c1cccc(C(F)(F)F)c1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.62
CTSL P07711 1/20 0.49
MME P08473 1/20 0.47
USP2 O75604 2/20 0.46
CYP3A4 P08684 2/20 0.46
NR1I2 O75469 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL7321252 1.00 BIRC2 (0.62) BIRC2CTSLMMEUSP2CYP3A4
SCHEMBL7320279 0.87 BIRC2 (0.76) BIRC2MMECYP2C9
SCHEMBL7310436 0.84 BIRC2 (0.61) BIRC2
SCHEMBL7320818 0.81 BIRC2 (0.69) BIRC2MMECYP2C9
SCHEMBL7323329 0.78 BIRC2 (0.53) BIRC2USP2
SCHEMBL7319199 0.78 MME (0.71) BIRC2MME
SCHEMBL7319195 0.78 MME (0.71) BIRC2MME
SCHEMBL7321398 0.78 MME (0.71) BIRC2MME
SCHEMBL7319202 0.78 MME (0.71) BIRC2MME
SCHEMBL7309896 0.77 BIRC2 (0.70) BIRC2MMECYP2C9

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed