SCHEMBL7388993

SCHEMBL7388993

CC(C)C[C@H](N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.58
POLB P06746 3/20 0.55
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ATM Q13315 1/20 0.55
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
APP P05067 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
MMP1 P03956 2/20 0.48
FCER2 P06734 2/20 0.48
ANPEP P15144 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7316102 1.00 REN (0.58) RENPOLBMAPTTDP1NPSR1
SCHEMBL10448523 1.00 REN (0.58) RENPOLBMAPTTDP1NPSR1
SCHEMBL7326560 0.90 REN (0.57) RENPOLBMAPTTDP1NPSR1
SCHEMBL9442952 0.90 REN (0.57) RENPOLBMAPTTDP1NPSR1
SCHEMBL9442931 0.90 REN (0.57) RENPOLBMAPTTDP1NPSR1
SCHEMBL7329599 0.88 REN (0.57) RENPOLBMAPTTDP1NPSR1
SCHEMBL7387244 0.88 REN (0.57) RENPOLBMAPTTDP1NPSR1
SCHEMBL9442911 0.88 REN (0.57) RENPOLBMAPTTDP1NPSR1
SCHEMBL7316995 0.86 ITGA4 (0.54) RENPOLBMAPTTDP1NPSR1
SCHEMBL23999577 0.83 ITGA4 (0.58) RENPOLBMAPTTDP1NPSR1

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-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed