SCHEMBL7899731

SCHEMBL7899731

Cc1ccc(-c2cn(C(=O)N(Cc3ccccc3)C(C)(C)C)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 5/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TSHR P16473 1/20 0.38
SRC P12931 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL448626 0.93 FAAH (0.53) FAAHMEN1KMT2ALMNANPC1
SCHEMBL424617 0.90 FAAH (0.48) FAAHMEN1KMT2ALMNANPC1
SCHEMBL427524 0.83 HSD17B2 (0.46) FAAHKMT2ALMNAHTTALDH1A1
SCHEMBL443278 0.74 FAAH (0.54) FAAHMEN1KMT2ALMNASMN1; SMN2
SCHEMBL425585 0.74 FAAH (0.57) FAAHMEN1KMT2ALMNANPC1
SCHEMBL27529994 0.74 ALPL (0.45) FAAHMEN1KMT2ANPC1RAB9A
SCHEMBL14950181 0.73 DRD2 (0.50) FAAHSMN1; SMN2
SCHEMBL14950285 0.73 CNR2 (0.54) LMNAHTTCNR1TSHR
SCHEMBL427826 0.72 FAAH (0.49) FAAHMEN1KMT2ALMNAHTT
SCHEMBL14950180 0.70 MAPT (0.48) FAAHNPC1TDP1SMN1; SMN2SRC

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-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed