SCHEMBL3984573

SCHEMBL3984573

O=C(O)N1CCC(OCc2ccc(Br)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.41
LPL P06858 2/20 0.40
LIPC P11150 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
POLB P06746 2/20 0.39
HRH3 Q9Y5N1 2/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MCHR1 Q99705 6/20 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
SCHEMBL5079976 0.83 GPR119 (0.50)
SCHEMBL21409412 0.80 CARM1 (0.54) POLBHRH3CARM1PRMT6ALDH1A1
SCHEMBL4048177 0.78 MGLL (0.36) LPLLIPCLIPGMAPTHTT
SCHEMBL4056560 0.77 DGAT1 (0.47) HMOX1
SCHEMBL17104609 0.77 GPR119 (0.48) HMOX1POLBCYP3A4MCHR1
SCHEMBL3983250 0.77 GPR119 (0.41)
SCHEMBL3988676 0.77 CXCR4 (0.39) POLBALDH1A1TSHR
SCHEMBL28265428 0.77 GRIN2D (0.39) HMOX1LPLLIPCLIPGHRH3
SCHEMBL3981391 0.75 NOS3 (0.38) POLBALDH1A1KDM4EMCHR1TSHR
SCHEMBL15224315 0.74 CYP11B2 (0.45) LPLLIPCLIPGCARM1PRMT6

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-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed