SCHEMBL27299869

SCHEMBL27299869

CC1CCCN(C)CCC1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KAT2B Q92831 1/20 0.30

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
SCHEMBL13774960 0.88 NCF1 (0.46) NCF1
SCHEMBL13775366 0.88 NCF1 (0.46) NCF1
SCHEMBL12435319 0.88 NCF1 (0.46) NCF1
SCHEMBL26750312 0.81 ATM (0.35) NCF1LMNACA1CA2CA4
SCHEMBL20250800 0.81 ATM (0.35) NCF1LMNACA1CA2CA4
SCHEMBL18085509 0.80 CA1 (0.54) NCF1ALDH1A1HTTLMNACA1
SCHEMBL18085503 0.80 CA1 (0.54) NCF1ALDH1A1HTTLMNACA1
SCHEMBL12449629 0.78
SCHEMBL10173819 0.78
SCHEMBL12085 0.78

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-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed