SCHEMBL28920263

SCHEMBL28920263

NC(=O)OC1(C(=O)Nc2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.50
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 2/20 0.43
TRPV1 Q8NER1 6/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL28674177 0.98 FAAH (0.48) FAAHLMNANPSR1GAARAB9A
SCHEMBL28693808 0.95 FAAH (0.45) FAAHLMNANPSR1GAARAB9A
SCHEMBL28674191 0.92 MEN1 (0.44) FAAHLMNANPSR1GAARAB9A
SCHEMBL28613127 0.85 TRPV1 (0.49) LMNANPSR1GAARAB9ASMN1; SMN2
SCHEMBL28613585 0.85 HDAC1 (0.49) FAAHRAB9ASMN1; SMN2HDAC1TRPV1
SCHEMBL2112321 0.81 FAAH (0.52) FAAHLMNANPSR1GAASMN1; SMN2
SCHEMBL28613261 0.79 TRPV1 (0.52) FAAHLMNANPSR1GAARAB9A
SCHEMBL28608026 0.78 FAAH (0.55) FAAHLMNANPSR1GAASMN1; SMN2
SCHEMBL5510278 0.78 NPSR1 (0.50) FAAHLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL26110622 0.76 ALDH1A1 (0.41) LMNAKMT2AHPGDMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896712-B Diamide compound containing cyclic amino acid 华东理工大学 2024-04-09 CN disclosed
CN-113233996-B Novel TRPV1 antagonistic/FAAH inhibition double-target drug, and preparation method and application thereof 河南大学 2022-05-20 CN disclosed
CN-113896712-A Diamide compound containing cyclic amino acid 华东理工大学 2022-01-07 CN disclosed
CN-113233996-A Novel TRPV1 antagonistic/FAAH inhibition double-target drug, and preparation method and application thereof 河南大学 2021-08-10 CN disclosed