SCHEMBL20141396

SCHEMBL20141396

CC(C)(C)N(CCCc1cccc(Br)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
PTGES O14684 1/20 0.46
RIPK1 Q13546 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
TMEM97 Q5BJF2 1/20 0.42
OPRD1 P41143 1/20 0.41
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL1704199 0.92 TAAR1 (0.55) TAAR1PTGESRIPK1MEN1KMT2A
SCHEMBL1946468 0.83 MAOA (0.46) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL67173 0.82 RIPK1 (0.56) TAAR1PTGESRIPK1MEN1KMT2A
SCHEMBL2574637 0.82 MEN1 (0.44) TAAR1MEN1KMT2AHTTL3MBTL1
SCHEMBL3750437 0.76 TAAR1 (0.50) TAAR1RIPK1SIGMAR1FFAR1FFAR4
SCHEMBL1026339 0.75 TAAR1 (0.47) TAAR1MEN1KMT2AHTTL3MBTL1
SCHEMBL4158364 0.75 OPRK1 (0.55) MEN1KMT2AHTTL3MBTL1OPRD1
SCHEMBL18316992 0.75 TAAR1 (0.65) TAAR1PTGESRIPK1MEN1KMT2A
SCHEMBL20141439 0.74 TAAR1 (0.46) TAAR1RIPK1MEN1KMT2AHTT
SCHEMBL1205533 0.74 MAOA (0.49) MEN1KMT2AHTTL3MBTL1LMNA

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed