SCHEMBL27367884

SCHEMBL27367884

Cc1ccc(N2CCN(CC3CCN(C)CC3)CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM2B Q8NHM5 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL27364242 0.87 BAZ2A (0.33)
SCHEMBL27366232 0.84 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1SIGMAR1
SCHEMBL82186 0.79 KDM4E (0.39) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL82200 0.75 CHRNA7 (0.47) DRD2DRD3KCNH2
SCHEMBL27362860 0.75 MAPT (0.50) CACNA2D1CACNA1BCACNB1CACNA1CDRD2
SCHEMBL24319476 0.74 NCF1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CKCNH2
SCHEMBL25571706 0.74 NCF1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CKCNH2
SCHEMBL23173902 0.74 NCF1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CKCNH2
SCHEMBL82260 0.73 CHKA (0.42) DRD2DRD3KCNH2
SCHEMBL3436997 0.72 NCF1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CKCNH2

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