SCHEMBL28332575

SCHEMBL28332575

Cc1cccc(C)c1NCC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
PRMT5 O14744 1/20 0.47
OPRD1 P41143 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 1/20 0.41
KCNK3 O14649 1/20 0.41
PDE8B O95263 1/20 0.41
IL1B P01584 1/20 0.41
AHCY P23526 1/20 0.41
METTL3 Q86U44 1/20 0.41
ATM Q13315 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL28153227 0.84 KDM1A (0.50) KDM1APRMT5OPRD1LMNAALDH1A1
SCHEMBL5337684 0.81 PRMT5 (0.53) KDM1APRMT5OPRD1LMNAALDH1A1
SCHEMBL12311356 0.80 OPRD1 (0.53) KDM1APRMT5OPRD1LMNAALDH1A1
SCHEMBL31437092 0.80 KDM1A (0.52) KDM1APRMT5OPRD1LMNAALDH1A1
SCHEMBL15891825 0.80 ALDH1A1 (0.52) KDM1APRMT5OPRD1ALDH1A1FPR3
SCHEMBL16333400 0.80 KDM1A (0.49) KDM1APRMT5OPRD1ALDH1A1FPR3
SCHEMBL31515502 0.78 LMNA (0.63) LMNAALDH1A1NPSR1MEN1KMT2A
SCHEMBL18487506 0.78 LMNA (0.63) LMNAALDH1A1NPSR1MEN1KMT2A
SCHEMBL29939753 0.78 NPC1 (0.48) KDM1APRMT5OPRD1ALDH1A1FPR3
SCHEMBL5654694 0.78 KDM1A (0.50) KDM1APRMT5OPRD1ALDH1A1FPR3

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
CN-106928126-B Amide derivative, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2019-12-20 CN disclosed