SCHEMBL4050033

SCHEMBL4050033

NC(=O)c1ccc(-c2cnc(NCC3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 3/20 0.53
MTOR P42345 1/20 0.43
PIM1 P11309 1/20 0.42
GRIN2B Q13224 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
ATR Q13535 2/20 0.40
FYN P06241 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
BTK Q06187 1/20 0.37
IKBKB O14920 3/20 0.37

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
SCHEMBL4234932 0.88 TPH1 (0.49) TPH1MTORPIM1GRIN2BCYP3A4
SCHEMBL4371541 0.86 TPH1 (0.48) TPH1PIM1GRIN2BCYP3A4CYP2D6
SCHEMBL4373471 0.86 ATR (0.50) TPH1PIM1GRIN2BCYP3A4CYP2D6
SCHEMBL13690383 0.85 GPR119 (0.51) TPH1
SCHEMBL4050644 0.84 TPH1 (0.50) TPH1PIM1GRIN2BCYP3A4CYP2D6
SCHEMBL4049787 0.83 TPH1 (0.49) TPH1GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL4057216 0.82 IKBKB (0.48) TPH1ATRIKBKB
SCHEMBL4370900 0.82 IKBKB (0.48) TPH1ATRIKBKB
SCHEMBL4056100 0.81 TPH1 (0.44) TPH1PIM1GRIN2BCYP3A4CYP2D6
SCHEMBL4379368 0.81 TPH1 (0.44) TPH1PIM1GRIN2BCYP3A4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed