SCHEMBL31155434

SCHEMBL31155434

CC(C)(C)OC(=O)N1CCN(C2CCN(c3cc(OCC(F)(F)F)c([N+](=O)[O-])cc3Br)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 4/20 0.41
KCNH2 Q12809 1/20 0.39
MAPT P10636 9/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 1/20 0.37
LIPE Q05469 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MET P08581 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL31155418 0.91 GPR174 (0.44) GPR174KCNH2MAPTALDH1A1LMNA
SCHEMBL31155445 0.90 MAPT (0.40) GPR174KCNH2MAPTALDH1A1LMNA
SCHEMBL25339805 0.89 MAPT (0.43) GPR174KCNH2MAPTALDH1A1LMNA
SCHEMBL25340304 0.86 KCNH2 (0.43) GPR174KCNH2MAPTALDH1A1LMNA
SCHEMBL310050 0.85 MAPT (0.48) MAPTALDH1A1LMNALIPEMET
SCHEMBL31155444 0.84 KCNH2 (0.42) GPR174KCNH2MAPTALDH1A1LMNA
SCHEMBL31155570 0.84 RET (0.40) GPR174MET
SCHEMBL29094581 0.81 MAPT (0.50) GPR174KCNH2MAPTALDH1A1LMNA
SCHEMBL25339252 0.81 GPR174 (0.45) GPR174MAPTALDH1A1LMNAACACB
SCHEMBL25339886 0.81 GPR174 (0.47) GPR174MAPTALDH1A1LMNAACACB

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-2024217481-A1 EGFR DEGRADING AGENT, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海齐鲁制药研究中心有限公司 2024-10-24 WO disclosed