SCHEMBL4590449

SCHEMBL4590449

COC1(c2ccccc2)CCCCC1(C(N)=O)C(=O)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 1/20 0.36
REN P00797 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.35
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
HCN1 O60741 1/20 0.33
HCN3 Q9P1Z3 1/20 0.33

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
SCHEMBL11081075 0.72 MEN1 (0.74) MEN1KMT2AHSD11B1SIGMAR1SMN1; SMN2
SCHEMBL11085490 0.71 MEN1 (0.77) MEN1KMT2AHSD11B1SIGMAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL6926723 0.69 ALDH1A1 (0.39) MEN1KMT2ASIGMAR1POLBSLC6A2
SCHEMBL18390858 0.69 MEN1 (0.69) MEN1KMT2AHSD11B1SIGMAR1SMN1; SMN2
SCHEMBL11088640 0.69 HSD11B1 (0.73) MEN1KMT2AHSD11B1SIGMAR1POLB
SCHEMBL5538611 0.68 AKR1C1 (0.38) MEN1KMT2ASIGMAR1POLBSMN1; SMN2
SCHEMBL8231613 0.66 HSD11B1 (0.59) MEN1KMT2AHSD11B1SIGMAR1POLB
Hydrochloric Acid SCHEMBL23539353 0.66 CA2 (0.43) MEN1KMT2AHSD11B1SLC6A2
SCHEMBL4566295 0.66 ALDH1A1 (0.38) MEN1KMT2APOLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL6161721 0.66 HSD11B1 (0.77) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed