SCHEMBL28134124

SCHEMBL28134124

NC(=O)CC[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.41
ARG1 P05089 4/20 0.36
ARG2 P78540 1/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL8447008 1.00 FDPS (0.41) FDPSARG1ARG2NOS2NOS3
SCHEMBL10098487 1.00 FDPS (0.41) FDPSARG1ARG2NOS2NOS3
SCHEMBL19124799 0.94 FDPS (0.47) FDPSARG1ARG2CYP2D6MEN1
Hydrochloric Acid SCHEMBL6988735 0.92 FDPS (0.46) FDPSARG1ARG2CYP2D6MEN1
SCHEMBL5389839 0.90 FDPS (0.40) FDPSARG1ARG2NOS2NOS3
Trifluoroacetic Acid SCHEMBL13732304 0.88 CHRNB2 (0.38) FDPSARG1ARG2
Trifluoroacetic Acid SCHEMBL28215603 0.88 CHRNB2 (0.38) FDPSARG1ARG2
SCHEMBL8695810 0.85
SCHEMBL4778976 0.82 FDPS (0.42) FDPSARG1ARG2CYP2D6MEN1
SCHEMBL6642206 0.82 FDPS (0.42) FDPSARG1ARG2CYP2D6MEN1

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
CN-113416229-B Cytotoxic and antimitotic compounds and methods of use thereof 酵活英属哥伦比亚有限公司 2024-12-13 CN disclosed
CN-106470708-A Antibody-drug-conjugates and their use for the treatment of cancer 皮埃尔法布雷医药公司 2017-03-01 CN disclosed
CN-106456800-A IGF-1R antibody-drug-conjugates and uses thereof for the treatment of cancer 皮埃尔法布雷医药公司 2017-02-22 CN disclosed