SCHEMBL8514901

SCHEMBL8514901

CC(C)(C)N1CCC(Nc2ccc(Br)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
RET P07949 1/20 0.35
PABPC1 P11940 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FDFT1 P37268 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KDM4E B2RXH2 1/20 0.33
FPR2 P25090 1/20 0.32

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
SCHEMBL1670854 0.81 FDFT1 (0.42) POLBALDH1A1CHRNB2CHRNA4MAPT
SCHEMBL15544585 0.80 POLB (0.46) POLBALDH1A1MAPTNPC1MAPK1
SCHEMBL3567993 0.78 KDM4E (0.43) POLBALDH1A1MAPTMAPK1RAB9A
SCHEMBL4240888 0.77 ALDH1A1 (0.64) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL14060623 0.75 POLB (0.47) POLBPABPC1ALDH1A1MAPTNPC1
SCHEMBL16219449 0.74 POLB (0.42) POLBPABPC1ALDH1A1MAPTNPC1
SCHEMBL34471244 0.74 MAPK1 (0.46) MAPK1FDFT1FPR2
SCHEMBL16219445 0.73 CARM1 (0.54) POLBALDH1A1MAPTNPC1MAPK1
SCHEMBL25395289 0.71 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL30555442 0.71 CHRNB2 (0.45) CHRNB2CHRNA4

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-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed