SCHEMBL7320484

SCHEMBL7320484

O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.75
ALDH1A1 P00352 2/20 0.64
HSD17B10 Q99714 1/20 0.64
KMT2A Q03164 2/20 0.64
GAA P10253 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GFER P55789 1/20 0.57
MEN1 O00255 1/20 0.55
MME P08473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
FPR2 P25090 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.51

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
SCHEMBL7338607 0.98 POLB (0.73) POLBALDH1A1HSD17B10KMT2AGAA
SCHEMBL7325677 0.98 POLB (0.73) POLBALDH1A1HSD17B10KMT2AGAA
SCHEMBL7338599 0.98 POLB (0.73) POLBALDH1A1HSD17B10KMT2AGAA
SCHEMBL6375231 0.88 POLB (0.60) POLBALDH1A1HSD17B10KMT2ACYP3A4
SCHEMBL6375227 0.88 POLB (0.60) POLBALDH1A1HSD17B10KMT2ACYP3A4
SCHEMBL7298853 0.87 POLB (0.70) POLBALDH1A1HSD17B10KMT2AGAA
SCHEMBL7266885 0.87 POLB (0.74) POLBALDH1A1HSD17B10KMT2AGAA
SCHEMBL7266801 0.87 POLB (0.70) POLBALDH1A1HSD17B10KMT2AGAA
SCHEMBL5193787 0.87 POLB (0.74) POLBALDH1A1HSD17B10KMT2AGAA
SCHEMBL7275964 0.87 POLB (0.74) POLBALDH1A1HSD17B10KMT2AGAA

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
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed
US-4885292-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed