SCHEMBL4173897

SCHEMBL4173897

COc1cc(N2CCN(C(=O)CC(C)(C)C)CC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.48
GFER P55789 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4171024 0.86 CCR1 (0.51) CCR1GFERKMT2AMEN1LMNA
SCHEMBL2723108 0.86 ALK (0.53) CCR1GFERKMT2AMEN1LMNA
SCHEMBL16693936 0.85 CCR1 (0.53) CCR1GFERKMT2AMEN1LMNA
SCHEMBL13362063 0.85 MAPT (0.58) CCR1GFERKMT2AMEN1LMNA
SCHEMBL4172479 0.84 ALK (0.50) CCR1GFERLMNAMAPTALDH1A1
SCHEMBL3128279 0.83 CCR1 (0.51) CCR1GFERKMT2AMEN1LMNA
SCHEMBL15650773 0.83 CCR1 (0.48) CCR1GFERKMT2AMEN1LMNA
SCHEMBL2205957 0.82 CASP6 (0.59) GFERKMT2AMEN1LMNAMAPT
SCHEMBL13362096 0.82 HTR1A (0.51) CCR1GFERKMT2AMEN1LMNA
SCHEMBL11294977 0.82 CCR1 (0.46) CCR1GFERKMT2AMEN1LMNA

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-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 WO disclosed