SCHEMBL7530841

SCHEMBL7530841

NCC(O)CN(CC(O)CN)CC(O)CN

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
CETP P11597 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
SCHEMBL9054773 1.00 GABRR1 (0.39) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL7362498 0.87 GAA (0.38) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL7718222 0.83 TSHR (0.39) GABRR1LMNATSHRGABBR2GABBR1
SCHEMBL689113 0.83 TSHR (0.39) GABRR1LMNATSHRGABBR2GABBR1
SCHEMBL16314551 0.83 GABRR1 (0.33) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL17677168 0.83 TSHR (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL29046398 0.81 KDM4E (0.44) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL19716189 0.81 KDM4E (0.44) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL28753864 0.77 CHRM2 (0.36) GABRR1LMNATSHR
SCHEMBL15827375 0.77 ALDH1A1 (0.44) GABRR1LMNACYP1A2CYP2C9TSHR

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
JP-8027075-A None JP disclosed
WO-2010065758-A2 SOY ADHESIVES STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUC. ON BEHALF OF OREGON STATE UNIV (US) 2010-06-10 WO disclosed
EP-0770593-B1 TRIS(3-AMINOPROPYL)AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME KAO CORP (JP) 2002-04-03 EP disclosed
US-5696071-A Tris (3-aminopropyl)amine derivative and detergent composition containing the same KAO CORPORATION (JP) 1997-12-09 US disclosed
EP-0770593-A1 TRIS(3-AMINOPROPYL)AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME Kao Corporation (JP) 1997-05-02 EP disclosed
JP-H0827075-A TRIS(3-AMINOPROPYL)AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME KAO CORP 1996-01-30 JP disclosed