SCHEMBL30048976

SCHEMBL30048976

O=C1CCC2(CC1)CNC(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
DRD1 P21728 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNA7 P36544 2/20 0.33
CYP11B2 P19099 1/20 0.33
CDK8 P49336 4/20 0.32
CDK19 Q9BWU1 4/20 0.32
SMO Q99835 1/20 0.32
HSD11B1 P28845 5/20 0.31
CCNC P24863 2/20 0.31
HDAC1 Q13547 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL519126 0.86
SCHEMBL18355718 0.82 LMNA (0.46) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL22770864 0.82
SCHEMBL3062964 0.80 LMNA (0.45) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL341205 0.78 LMNA (0.44) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL20355472 0.78 LMNA (0.44) LMNACHRM2ADRA2ACYP2D6TSHR
Hydrochloric Acid SCHEMBL4563303 0.78 MAPT (0.46) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL1096010 0.78 LMNA (0.55) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL1558282 0.77 LMNA (0.43) LMNACHRM2ADRA2ACYP2D6TSHR
Hydrochloric Acid SCHEMBL3242359 0.77 MAPT (0.45) LMNACHRM2ADRA2ACYP2D6TSHR

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-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed