SCHEMBL3104288

SCHEMBL3104288

CC(C)(C)OC(=O)N1CCN(c2ccc(OC3CCCC3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.57
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4B Q07343 1/20 0.46
ACACB O00763 1/20 0.46

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
SCHEMBL3333248 0.83 ACACB (0.48) ACACB
SCHEMBL2120938 0.83 GPR119 (0.64) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL30947672 0.83 GPR119 (0.64) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL3098995 0.82 GPR119 (0.63) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL6356496 0.82 GPR119 (0.59) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL3104760 0.81 GPR119 (0.60) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL25187518 0.80 GPR119 (0.59) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL30893585 0.80 GPR119 (0.59) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL13993542 0.79 GPR119 (0.67) GPR119KMT2A
SCHEMBL31748202 0.79 GPR119 (0.67) GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 WO disclosed