SCHEMBL22792004

SCHEMBL22792004

COc1cncc(NCc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
MET P08581 1/20 0.48
SLC2A1 P11166 1/20 0.46
CCNT1 O60563 1/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
P2RX7 Q99572 1/20 0.45
TLR9 Q9NR96 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ALK Q9UM73 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
TP53 P04637 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL22791999 0.84 ACHE (0.52) ACHEMAPTSMN1; SMN2LMNATLR9
SCHEMBL22792227 0.81 HRH1 (0.48) METMAPTSMN1; SMN2ALDH1A1
SCHEMBL6284124 0.80 ACHE (0.54) ACHEMETSLC2A1CCNT1MAPT
SCHEMBL22791998 0.80 ADRB1 (0.51) ACHEMAPTALDH1A1
SCHEMBL8259766 0.78 SMN1; SMN2 (0.55) ACHEMETMAPTSMN1; SMN2LMNA
SCHEMBL27118797 0.77 ACHE (0.50) ACHEMETCCNT1MAPTSMN1; SMN2
SCHEMBL22792199 0.77 GPR119 (0.56) ACHEMAPTSMN1; SMN2LMNAGPR119
SCHEMBL15727931 0.76 GPR119 (0.53) ACHEMAPTSMN1; SMN2LMNAP2RX7
SCHEMBL22792306 0.76 DDB1 (0.47) ACHEMETLMNAGPR119TP53
SCHEMBL671029 0.76 GPR119 (0.57) ACHEMAPTSMN1; SMN2LMNAGPR119

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed