SCHEMBL8689586

SCHEMBL8689586

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(OCC(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
SMYD3 Q9H7B4 4/20 0.55
ARG1 P05089 1/20 0.52
SOS1 Q07889 5/20 0.52
KRAS P01116 1/20 0.52
AKT1 P31749 1/20 0.50
BCHE P06276 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
SCHEMBL8689594 1.00 DPP4 (0.56) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL2032411 0.84 SMYD3 (0.60) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL2032409 0.84 SMYD3 (0.60) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL9452845 0.81 KMT2A (0.64) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL7420410 0.81 DPP4 (0.58) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL8879339 0.81 ITGB3 (0.66) MEN1KMT2A
SCHEMBL27633966 0.80 MEN1 (0.62) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL8881734 0.80 NMBR (0.58) MEN1KMT2ALMNAMAPT
SCHEMBL3788185 0.79 MEN1 (0.61) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL3788187 0.79 MEN1 (0.61) DPP4MEN1KMT2AKDM4ELMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747522-A ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS HOFFMAN-LA ROCHE INC. (US) 1998-05-05 US disclosed
US-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed