SCHEMBL172407

SCHEMBL172407

CC(C)CNCc1ccc(C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
IDO1 P14902 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CA2 P00918 3/20 0.42
BCHE P06276 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4397639 0.87 L3MBTL1 (0.63) L3MBTL1RAB9ANPC1IDO1MEN1
SCHEMBL29787818 0.84 L3MBTL1 (0.53) L3MBTL1RAB9ANPC1IDO1MEN1
SCHEMBL13995742 0.84 L3MBTL1 (0.53) L3MBTL1RAB9ANPC1IDO1MEN1
SCHEMBL18232477 0.83 ANPEP (0.54) L3MBTL1ALDH1A1OPRM1OPRK1CYP1A2
SCHEMBL6566603 0.83 GAA (0.56) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25479303 0.83 LMNA (0.57) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29579969 0.83 L3MBTL1 (0.70) L3MBTL1RAB9ANPC1IDO1MEN1
SCHEMBL29787785 0.82 MEN1 (0.54) L3MBTL1RAB9ANPC1IDO1MEN1
SCHEMBL12659603 0.81 CHRM2 (0.53) L3MBTL1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8278011 0.81 L3MBTL1 (0.58) L3MBTL1RAB9ANPC1IDO1MEN1

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
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed