SCHEMBL4432164

SCHEMBL4432164

NCCCN(CCCCN(CCCN)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
THRB P10828 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRR2 P28476 1/20 0.42
SLC6A1 P30531 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL13692258 0.97 NFKB1 (0.44) LMNATHRBBLMKMT2ANPSR1
SCHEMBL19925599 0.97 LMNA (0.43) LMNATHRBBLMKMT2ANPSR1
Hydrochloric Acid SCHEMBL25202141 0.95 BLM (0.46) LMNATHRBBLMKMT2ANPSR1
SCHEMBL31040378 0.95 LMNA (0.46) LMNATHRBBLMKMT2ANPSR1
SCHEMBL25351334 0.95 LMNA (0.46) LMNATHRBBLMKMT2ANPSR1
SCHEMBL31040390 0.95 LMNA (0.46) LMNATHRBBLMKMT2ANPSR1
Hydrochloric Acid SCHEMBL25354101 0.93 BLM (0.44) LMNATHRBBLMKMT2ANPSR1
Hydrochloric Acid SCHEMBL25353130 0.93 BLM (0.44) LMNATHRBBLMKMT2ANPSR1
Hydrochloric Acid SCHEMBL25355836 0.93 BLM (0.44) LMNATHRBBLMKMT2ANPSR1
SCHEMBL31040409 0.92 LMNA (0.48) LMNATHRBBLMKMT2ANPSR1

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
CN-110461860-A CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER 2019-11-15 CN disclosed
WO-2009129385-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO disclosed