SCHEMBL10653533

SCHEMBL10653533

CC(C)C(N)(CCCCN)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.66
ARG2 P78540 2/20 0.66
ODC1 P11926 2/20 0.58
LMNA P02545 2/20 0.56
BLM P54132 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
GSR P00390 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL10653529 1.00 ARG1 (0.66) ARG1ARG2ODC1LMNABLM
SCHEMBL28218941 0.94 ODC1 (0.66) ARG1ARG2ODC1LMNABLM
SCHEMBL22009378 0.86 ODC1 (0.56) ARG1ARG2ODC1LMNABLM
SCHEMBL22009371 0.86 ODC1 (0.56) ARG1ARG2ODC1LMNABLM
SCHEMBL9501852 0.86 ODC1 (0.56) ARG1ARG2ODC1LMNABLM
SCHEMBL8764682 0.85 ODC1 (0.55) ARG1ARG2ODC1LMNABLM
Water SCHEMBL27925668 0.82 ARG1 (0.64) ARG1ARG2ODC1LMNABLM
SCHEMBL28009580 0.82 ARG1 (0.64) ARG1ARG2ODC1LMNABLM
SCHEMBL10264844 0.82 ARG1 (0.64) ARG1ARG2ODC1LMNABLM
SCHEMBL14689712 0.82 ARG1 (0.62) ARG1ARG2ODC1LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068348-A1 PHARMACEUTICAL COMBINATION OF CXCR4 AND PD-1 INHIBITORS FOR TREATING CANCER SPEXIS AG (CH) 2025-04-03 WO claimed
WO-2025068346-A1 PHARMACEUTICAL COMBINATION OF CXCR4, PD-1 AND FAK INHIBITORS FOR TREATING CANCER SPEXIS AG (CH) 2025-04-03 WO claimed
WO-2022184320-A2 MEDICAL USE OF CYCLIC PEPTIDES SPEXIS AG (CH) 2022-09-09 WO claimed
CN-104603145-B β-hairpin peptidomimetics 波利弗尔股份公司 2018-05-18 CN claimed
WO-2025068348-A1 PHARMACEUTICAL COMBINATION OF CXCR4 AND PD-1 INHIBITORS FOR TREATING CANCER SPEXIS AG (CH) 2025-04-03 WO disclosed
WO-2025068346-A1 PHARMACEUTICAL COMBINATION OF CXCR4, PD-1 AND FAK INHIBITORS FOR TREATING CANCER SPEXIS AG (CH) 2025-04-03 WO disclosed
WO-2022184320-A2 MEDICAL USE OF CYCLIC PEPTIDES SPEXIS AG (CH) 2022-09-09 WO disclosed
CN-114133337-A Preparation method of 2-substituted lysine 成都泰蓉生物科技有限公司 2022-03-04 CN disclosed
CN-104603145-B β-hairpin peptidomimetics 波利弗尔股份公司 2018-05-18 CN disclosed
EP-0169300-B1 PROCESS FOR PREPARATION OF ALPHA-ALKYL AMINO ACIDS MERCK & CO. INC. (US) 1988-05-25 EP disclosed
EP-0169300-A1 Process for preparation of alpha-alkyl amino acids MERCK & CO. INC. (US) 1986-01-29 EP disclosed
US-4508921-A Process for preparation of alpha-alkyl amino acids MERCK & CO., INC. (US) 1985-04-02 US disclosed