SCHEMBL24749679

SCHEMBL24749679

C[C@@H]1CCCN1CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HRH3 Q9Y5N1 11/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TACR1 P25103 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL2639392 1.00 CHRM2 (0.44) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL4250620 0.94 CHRM2 (0.50) CHRM2ALDH1A1L3MBTL1MEN1GAA
SCHEMBL18878630 0.82 CHRM2 (0.45) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL500406 0.82 ALDH1A1 (0.48) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL25202526 0.82 ALDH1A1 (0.48) CHRM2ALDH1A1HRH3L3MBTL1MEN1
Hydrochloric Acid SCHEMBL1376064 0.80 ALDH1A1 (0.47) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL4177818 0.79 ALDH1A1 (0.50) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL23959763 0.78 TSHR (0.37) ALDH1A1L3MBTL1SMN1; SMN2KDM4ETACR1
SCHEMBL18878755 0.77 ALDH1A1 (0.51) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL27887097 0.77 HRH3 (0.41) CHRM2ALDH1A1HRH3L3MBTL1MEN1

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-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed