SCHEMBL3981391

SCHEMBL3981391

CN(Cc1ccc(Br)cn1)C1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
MCHR1 Q99705 3/20 0.36
CHRM4 P08173 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 3/20 0.35
TSHR P16473 2/20 0.35
LSS P48449 2/20 0.35
FAAH O00519 2/20 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
SCHEMBL5079865 0.84 GPR119 (0.48)
SCHEMBL29101926 0.81 LTA4H (0.47) NOS3NOS1NOS2CHRM2CHRM3
SCHEMBL3980096 0.79 USP30 (0.46) MCHR1
SCHEMBL3981756 0.79 GPR119 (0.42) MCHR1
SCHEMBL4374631 0.76 ITGB3 (0.40) MCHR1ALDH1A1KDM4E
SCHEMBL3988676 0.75 CXCR4 (0.39) ALDH1A1POLBTSHR
SCHEMBL3984573 0.75 HMOX1 (0.41) MCHR1ALDH1A1KDM4EPOLBTSHR
SCHEMBL4056589 0.74 ATR (0.40) MCHR1L3MBTL3
SCHEMBL4050800 0.74 ALDH1A1 (0.41) MCHR1ALDH1A1KDM4E
SCHEMBL785972 0.73 JAK2 (0.54) CHRM2CHRM3MCHR1ALDH1A1KDM4E

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