SCHEMBL30140916

SCHEMBL30140916

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.51
KMT2A Q03164 1/20 0.50
ENPP2 Q13822 1/20 0.47
ATXN2 Q99700 1/20 0.47
HSD11B1 P28845 1/20 0.46
KDM1A O60341 1/20 0.45
SCD5 Q86SK9 1/20 0.44
OPRD1 P41143 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
GPR183 P32249 2/20 0.43
PARP1 P09874 1/20 0.43
ACACB O00763 1/20 0.43

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
SCHEMBL24095092 0.87 KMT2A (0.61) OPRK1KMT2AKDM1AOPRD1
SCHEMBL20556708 0.84 ERN1 (0.56) KDM1AGPR183
SCHEMBL15536173 0.80 KDM1A (0.50) OPRK1KMT2AKDM1AOPRD1
SCHEMBL30027230 0.80 KDM1A (0.50) OPRK1KMT2AKDM1AOPRD1
SCHEMBL31748198 0.78 HSD11B1 (0.53) KMT2AHSD11B1KDM1AGPR183PARP1
SCHEMBL1221599 0.78 KDM1A (0.48) OPRK1KMT2AKDM1AOPRD1HDAC1
SCHEMBL2445002 0.78 SMN1; SMN2 (0.60) KMT2A
SCHEMBL3658891 0.77 SMN1; SMN2 (0.46) OPRK1KMT2AKDM1AHDAC1HDAC2
SCHEMBL1220804 0.77 KDM1A (0.48) OPRK1KMT2AKDM1AOPRD1
Hydrochloric Acid SCHEMBL30140952 0.77 KMT2A (0.56) OPRK1KMT2AENPP2ATXN2HSD11B1

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
CN-115873069-A Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof 天地恒一制药股份有限公司 2023-03-31 CN disclosed
CN-115707712-A Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof 天地恒一制药股份有限公司 2023-02-21 CN disclosed