SCHEMBL31077928

SCHEMBL31077928

CCOc1ncccc1-c1cccc(C(=O)N[C@@H]2CCNC2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 8/20 0.49
MC2R Q01718 1/20 0.48
PIM1 P11309 2/20 0.43
ACP1 P24666 1/20 0.43
NTRK1 P04629 2/20 0.41
ALDH1A1 P00352 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
PBK Q96KB5 1/20 0.39
PARP1 P09874 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
SCHEMBL31077879 0.84 MC2R (0.58) DGAT2MC2RACP1
SCHEMBL23201613 0.82 DGAT2 (0.51) DGAT2MC2RACP1ALDH1A1PBK
SCHEMBL30090945 0.82 MC2R (0.54) MC2RNTRK1IRAK4
SCHEMBL30090944 0.82 MC2R (0.54) MC2RNTRK1IRAK4
SCHEMBL31162221 0.82 MC2R (0.54) MC2RNTRK1IRAK4
SCHEMBL31077853 0.77 USP30 (0.59) MC2RPARP1
SCHEMBL23201599 0.75 PIM1 (0.63) PIM1ALDH1A1IRAK4PARP1
SCHEMBL23201602 0.75 IRAK4 (0.56) MC2RNTRK1ALDH1A1IRAK4
Formic Acid SCHEMBL31078013 0.75 MC2R (0.49) DGAT2MC2RACP1NTRK1PDE1A
SCHEMBL21700619 0.75 MC2R (0.75) DGAT2MC2RACP1

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-2024175925-A1 MC2R MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2024-08-29 WO disclosed