SCHEMBL16449188

SCHEMBL16449188

CCOC(=O)CC1CCN(c2ncc(-c3ccccc3)cc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
P2RY12 Q9H244 1/20 0.40
CKS1B P61024 3/20 0.39
SKP1 P63208 3/20 0.39
SKP2 Q13309 3/20 0.39
AOC3 Q16853 1/20 0.39
PDE4B Q07343 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
SCHEMBL12516589 0.90 DGAT1 (0.45) DGAT1MAPTALDH1A1TP53LMNA
SCHEMBL12516585 0.88 DGAT1 (0.44) DGAT1MAPTALDH1A1TP53LMNA
SCHEMBL14665458 0.86 DGAT1 (0.43) DGAT1MAPTALDH1A1TP53MEN1
SCHEMBL16449165 0.82 OPRK1 (0.52)
SCHEMBL12516588 0.80 CXCR3 (0.52) DGAT1MAPTTP53LMNAMEN1
SCHEMBL16449164 0.80 USP14 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL16449190 0.80 GPR119 (0.39) DGAT1MAPTALDH1A1TP53LMNA
SCHEMBL22657728 0.76 ATM (0.51) DGAT1MAPTALDH1A1TP53LMNA
SCHEMBL10380233 0.76 FFAR4 (0.41) DGAT1FFAR4
SCHEMBL12813874 0.76 ALDH1A1 (0.55) DGAT1MAPTALDH1A1LMNAMEN1

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
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed