SCHEMBL14239057

SCHEMBL14239057

CC1(C)CCc2nc3cc(-c4cnccc4F)ccc3c(=O)n2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.37
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP11B2 P19099 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.34
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL14239058 0.92 METAP2 (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14239355 0.87 L3MBTL1 (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1USP2
SCHEMBL14239342 0.85 RAB9A (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14239811 0.84 RAB9A (0.37) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14239051 0.83 RAB9A (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14239061 0.83 BACE1 (0.40) RAB9ANPC1L3MBTL1
SCHEMBL14239376 0.83 L3MBTL1 (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL14238938 0.82 GRM2 (0.42) CYP11B2CYP2C19CYP1A2CYP3A4
SCHEMBL14239059 0.82 RAB9A (0.35) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14239358 0.82 RAB9A (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA

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-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed