SCHEMBL11577875

SCHEMBL11577875

CCP(=O)(CCCN)CCCN

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.58
GABBR1 Q9UBS5 3/20 0.58
CYP1A2 P05177 2/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
GABRR1 P24046 1/20 0.50
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DNM1 Q05193 3/20 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
SCHEMBL11775383 0.86 GABBR2 (0.50) GABBR2GABBR1CYP1A2TSHRTHPO
SCHEMBL9617468 0.82 LMNA (0.58) GABBR2GABBR1CYP1A2TSHRTHPO
SCHEMBL9617461 0.81 GABBR2 (0.60) GABBR2GABBR1CYP1A2TSHRTHPO
SCHEMBL576174 0.77 HPGD (0.52) GABBR2GABBR1TSHRGABRR1CYP3A4
SCHEMBL10426416 0.76 TRPM8 (0.40) GABBR2GABBR1TSHRCYP3A4
SCHEMBL14966849 0.74 TRPM8 (0.58)
SCHEMBL2348729 0.74
SCHEMBL575635 0.72 HPGD (0.48) GABBR2GABBR1TSHRGABRR1CYP3A4
SCHEMBL1086382 0.72 ALDH1A1 (0.38) GABBR2GABBR1TSHRLMNAMEN1
SCHEMBL14966677 0.72 LPAR3 (0.56) TSHR

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-4092302-A PERMANENT ANTISTATIC, MOISTURE TRANSPORT AND MOISTURE REGAIN, AND FLAME-RESISTANT PROPERTIES MONSANTO COMPANY (US) 1978-05-30 US disclosed
US-4032517-A ADIPIC ACID, HEXAMETHYLENEDIAMINE, BIS(B-CARBOXYETHYL)-ALKYLPHOSPHINE OXIDE MONSANTO COMPANY (US) 1977-06-28 US disclosed