SCHEMBL8192140

SCHEMBL8192140

C[C@](N)(CCCCNCC=N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.47
ARG2 P78540 2/20 0.47
GGT1 P19440 1/20 0.40
ACLY P53396 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
APEX1 P27695 1/20 0.30
ADRA1A P35348 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL4200797 0.95 ARG1 (0.45) ARG1ARG2GGT1KDM4EMEN1
Hydrochloric Acid SCHEMBL8178078 0.94 ARG1 (0.44) ARG1ARG2GGT1KDM4EMEN1
SCHEMBL8178081 0.79 ARG1 (0.49) ARG1ARG2
SCHEMBL8688802 0.76 ARG2 (0.72) ARG1ARG2GGT1ACLYKDM4E
SCHEMBL537593 0.76 GGT1 (0.39) ARG1ARG2GGT1ACLYKDM4E
SCHEMBL6475315 0.76 GGT1 (0.39) ARG1ARG2GGT1ACLYKDM4E
SCHEMBL2638240 0.76 GGT1 (0.39) ARG1ARG2GGT1ACLYKDM4E
SCHEMBL6992677 0.76 GGT1 (0.39) ARG1ARG2GGT1
SCHEMBL8821854 0.76 ARG1 (0.42) ARG1ARG2GGT1
SCHEMBL19488433 0.75 ARG1 (0.56) ARG1ARG2GGT1ACLYKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751930-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-01-05 EP claimed
EP-0751930-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-01-08 EP claimed
WO-1995025717-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-28 WO claimed
EP-0751930-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-01-05 EP disclosed
EP-0751930-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-01-08 EP disclosed
WO-1995025717-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-28 WO disclosed