SCHEMBL3943864

SCHEMBL3943864

CC(C)NC(=O)[C@@H](C1CCCCC1)N(CC(=O)O)C(=O)C(=O)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK14 Q16539 2/20 0.36
PYGL P06737 6/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
KCNH2 Q12809 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CNR2 P34972 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL3945345 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTL3MBTL1MAPK14
SCHEMBL3943464 0.90 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTL3MBTL1MAPK14
SCHEMBL3950664 0.88 MAPT (0.52) ALDH1A1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL4362231 0.88 MAPT (0.52) ALDH1A1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL3944227 0.88 DGAT1 (0.40) ALDH1A1KMT2AMAPTL3MBTL1PYGL
SCHEMBL4212851 0.88 RAB9A (0.49) ALDH1A1KMT2ARAB9ANPC1
SCHEMBL3945898 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTRAB9ANPC1
SCHEMBL3949749 0.82 RAB9A (0.41) ALDH1A1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL4032664 0.82 RAB9A (0.42) ALDH1A1MAPTL3MBTL1RAB9ANPC1
SCHEMBL4357051 0.81 RAB9A (0.43) ALDH1A1KMT2AMAPTL3MBTL1RAB9A

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
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed