SCHEMBL27363464

SCHEMBL27363464

Cc1cnc(N2CCN(CC3CCN(C)CC3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
KDM2B Q8NHM5 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 2/20 0.38
DHFR P00374 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR1A P08908 1/20 0.38
BRAF P15056 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL27363067 0.97 GPR119 (0.41) CASP1CASP4CASP5CACNA2D1CACNA1B
SCHEMBL27363461 0.94 KCNH2 (0.42) CASP1CASP4CASP5CACNA2D1CACNA1B
SCHEMBL27363063 0.88 KCNH2 (0.36) CASP1CASP4CASP5CACNA2D1CACNA1B
SCHEMBL27364869 0.87 DHFR (0.39) CASP1CASP4CASP5GPR119CYP1A2
SCHEMBL27366889 0.84 CASP1 (0.41) CASP1CASP4CASP5CACNA2D1CACNA1B
SCHEMBL27363065 0.84 MET (0.44) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL15759139 0.84 CHRM5 (0.46) CASP1CASP4CASP5GPR119TRPC5
SCHEMBL27362872 0.82 ACHE (0.47) CASP1CASP4CASP5GPR119ALDH1A1
SCHEMBL27362867 0.82 DRD2 (0.50) CASP1CASP4CASP5CACNA2D1CACNA1B
SCHEMBL27362988 0.81 KCNH2 (0.41) CASP1CASP4CASP5CACNA2D1CACNA1B

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