SCHEMBL27366232

SCHEMBL27366232

Cc1ccc(N2CCN(CC3CCNCC3)CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
ACHE P22303 2/20 0.33
BAZ2A Q9UIF9 1/20 0.33
HTR4 Q13639 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32

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
SCHEMBL27367884 0.84 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1SIGMAR1
SCHEMBL81908 0.77 ADRB1 (0.47) SIGMAR1
SCHEMBL27367743 0.75 ADRB1 (0.57) CACNA2D1CACNA1BCACNB1
SCHEMBL82200 0.74 CHRNA7 (0.47) MEN1KMT2A
SCHEMBL14422030 0.73 GBA1 (0.48) CACNA2D1CACNA1BCACNB1ACHEHTR4
SCHEMBL27368372 0.71 ADRB1 (0.56) CACNA2D1CACNA1BCACNB1MEN1KMT2A
SCHEMBL27366226 0.71 ADRB1 (0.61) CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL5573130 0.71 GBA1 (0.47) CACNA2D1CACNA1BCACNB1ACHE
SCHEMBL27366889 0.70 CASP1 (0.41) CACNA2D1CACNA1BCACNB1CASP1CASP4
SCHEMBL26157301 0.70 DRD2 (0.40) CACNA2D1CACNA1BCACNB1CASP1CASP4

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