SCHEMBL4774183

SCHEMBL4774183

CC(C)(C)c1ccc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 1/20 0.37
RORC P51449 2/20 0.37
ACACB O00763 2/20 0.37
GRM2 Q14416 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CYP19A1 P11511 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL4780839 0.86 SLC6A2 (0.44) SIGMAR1
SCHEMBL4781031 0.82 GAA (0.40) L3MBTL1RORCTP53MAPT
SCHEMBL4776044 0.81 RORC (0.41) RORCUBE2MDCUN1D1
SCHEMBL4778295 0.81 SIGMAR1 (0.46) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL14805869 0.77 ALDH1A1 (0.37) MEN1KMT2ARAB9A
SCHEMBL4775240 0.76 MEN1 (0.41) MEN1KMT2ARORCUBE2MDCUN1D1
SCHEMBL14820140 0.75 KMT2A (0.41) MEN1KMT2ARAB9ASIGMAR1
SCHEMBL18484463 0.75 KMT2A (0.41) MEN1KMT2ARAB9ASIGMAR1
SCHEMBL7867642 0.75 KMT2A (0.41) MEN1KMT2ARAB9ASIGMAR1
SCHEMBL4779333 0.74 CHRM4 (0.39) UBE2MDCUN1D1

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-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed