SCHEMBL3665124

SCHEMBL3665124

O=C(NC1CCN(C(=O)O)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 5/20 0.51
HPGDS O60760 1/20 0.47
PAK1 Q13153 1/20 0.47
LIPG Q9Y5X9 1/20 0.46
LIPE Q05469 4/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A5 Q9Y345 3/20 0.44
TEAD1 P28347 1/20 0.43
EPHX2 P34913 1/20 0.43
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL649966 0.89 HDAC4 (0.52) PRKAA2PAK1LIPEKMT2ASLC6A5
SCHEMBL2506008 0.86 SLC6A5 (0.56) PRKAA2HPGDSSLC6A5TEAD1
SCHEMBL16202108 0.85 HPGDS (0.52) PRKAA2HPGDSSLC6A5
SCHEMBL651761 0.85 SLC6A5 (0.55) PRKAA2HPGDSSLC6A5TEAD1
SCHEMBL646445 0.84 PRKAA2 (0.62) PRKAA2SLC6A5TEAD1
SCHEMBL647710 0.83 SLC6A5 (0.53) PRKAA2SLC6A5TEAD1
SCHEMBL16194601 0.82 PRKAA2 (0.48) PRKAA2HPGDSPAK1SLC6A5EPHX2
SCHEMBL3665469 0.82 LIPG (0.45) PRKAA2LIPGLIPEGAASMN1; SMN2
SCHEMBL4441001 0.82 HRH3 (0.48) PRKAA2PAK1SLC6A5TEAD1
SCHEMBL648561 0.82 PRKAA2 (0.60) PRKAA2SLC6A5CYP3A4

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
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed