SCHEMBL27363067

SCHEMBL27363067

Cc1cnc(N2CCC(CN3CCN(CC4CCN(C)CC4)CC3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
KCNH2 Q12809 2/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
HTR1A P08908 1/20 0.38
CHRM4 P08173 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BRAF P15056 1/20 0.36
KDM2B Q8NHM5 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL27363461 0.97 KCNH2 (0.42) GPR119CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL27363464 0.97 CASP1 (0.42) GPR119CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL27363063 0.88 KCNH2 (0.36) GPR119CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL15759139 0.87 CHRM5 (0.46) GPR119KCNH2CASP1CASP4CASP5
SCHEMBL27362872 0.85 ACHE (0.47) GPR119KCNH2CASP1CASP4CASP5
SCHEMBL27362988 0.84 KCNH2 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CKCNH2
SCHEMBL27363065 0.84 MET (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL27364869 0.84 DHFR (0.39) GPR119CASP1CASP4CASP5HTR1A
SCHEMBL27363062 0.82 GPR119 (0.41) GPR119KCNH2HRH4HTR3AHRH3
SCHEMBL27363157 0.82 GPR119 (0.39) GPR119KCNH2HTR1AHRH4HTR3A

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-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO disclosed