SCHEMBL7387446

SCHEMBL7387446

CN1CCN(CC(=O)N[C@@H](CC(=O)NC[C@@H]2CCCN(C=NN)C2)C(=O)N(CCNC(=O)c2cnccn2)C2CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
NAMPT P43490 1/20 0.31
PSMB5 P28074 4/20 0.31
LONP1 P36776 2/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 1/20 0.31
PSMA4 P25789 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMA5 P28066 1/20 0.31
PSMB4 P28070 1/20 0.31
PSMB6 P28072 1/20 0.31
PSMB10 P40306 1/20 0.31
PSMB3 P49720 1/20 0.31

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
Acetic Acid SCHEMBL9002986 0.98 F2 (0.32) F2DRD2HTR2ANAMPTPSMB5
SCHEMBL7391767 0.93 F2 (0.33) F2LMNAHPGD
SCHEMBL9211874 0.93 F2 (0.38) F2PSMB5PSMB8LMNAHPGD
Hydrochloric Acid SCHEMBL9002841 0.93 F2 (0.33) F2LMNAHPGD
SCHEMBL7396755 0.91 F2 (0.32) F2PSMB5LONP1PSMB11PSMA7
Hydrochloric Acid SCHEMBL9002946 0.91 F2 (0.33) F2PSMB5LONP1PSMB11PSMA7
SCHEMBL9002975 0.90 PSMB5 (0.33) F2PSMB5LONP1PSMB11PSMA7
SCHEMBL7387444 0.89 F2 (0.40) F2
Hydrochloric Acid SCHEMBL9002905 0.89 F2 (0.33) F2PSMB5LONP1PSMB11PSMA7
SCHEMBL7395162 0.89 PSMB5 (0.33) F2PSMB5LONP1PSMB11PSMA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed
EP-0641779-A1 Novel 1-amidinopiperdines and 4-amidinomorpholines as aggregation inhibitions F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP disclosed