SCHEMBL9853329

SCHEMBL9853329

NC(=O)C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MME P08473 2/20 0.53
ANPEP P15144 1/20 0.53
CTSL P07711 2/20 0.52
TACR1 P25103 3/20 0.51
ACE P12821 1/20 0.50
ECE1 P42892 1/20 0.49
MBTPS1 Q14703 1/20 0.49
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
SLC15A1 P46059 1/20 0.46
MAPT P10636 1/20 0.46
S1PR1 P21453 1/20 0.46
OPRK1 P41145 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
Hydrochloric Acid SCHEMBL9557063 0.99 POLB (0.54) POLBMMEANPEPCTSLTACR1
SCHEMBL12293296 0.90 MME (0.44) POLBMMEANPEPCTSLECE1
SCHEMBL7298200 0.90 SLC15A1 (0.55) POLBMMEANPEPCTSLTACR1
SCHEMBL8673841 0.89 TACR1 (0.59) POLBMMEANPEPCTSLTACR1
SCHEMBL28490041 0.89 TACR1 (0.59) POLBMMEANPEPCTSLTACR1
SCHEMBL10742278 0.88 ALDH1A1 (0.62) POLBANPEPALDH1A1THRBCYP2C9
SCHEMBL6064582 0.88 ALDH1A1 (0.62) POLBANPEPALDH1A1THRBCYP2C9
Bromide SCHEMBL8668104 0.88 TACR1 (0.57) POLBMMEANPEPCTSLTACR1
Hydrochloric Acid SCHEMBL10359241 0.87 ALDH1A1 (0.61) POLBANPEPALDH1A1THRBCYP2C9
Bromide SCHEMBL10742850 0.87 ALDH1A1 (0.61) POLBANPEPALDH1A1THRBCYP2C9

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
EP-0412350-A2 Renininhibitors, procedure for their preparation and use as medicaments BAYER AG (DE) 1991-02-13 EP disclosed