SCHEMBL31332207

SCHEMBL31332207

C1CCC(=NC2CCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
EPHX1 P07099 1/20 0.32
HIF1A Q16665 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL21120173 0.97 TSHR (0.35) TSHRCASP1PMM2MPI
SCHEMBL17053448 0.94 TSHR (0.39) TSHRCASP1ALDH1A1MAPTEPHX1
SCHEMBL182271 0.94 TSHR (0.39) TSHRCASP1ALDH1A1MAPTEPHX1
SCHEMBL1044305 0.92 TSHR (0.41) TSHRCASP1ALDH1A1KMT2A
SCHEMBL1932059 0.90 TSHR (0.36) TSHRCASP1
SCHEMBL16620401 0.75 TSHR (0.30) TSHRCASP1
SCHEMBL12260068 0.75 PDE7A (0.33) ALDH1A1MAPTEPHX1HIF1AKMT2A
SCHEMBL29203917 0.74 MAPT (0.35) ALDH1A1MAPT
SCHEMBL991116 0.74 TSHR (0.41) TSHRCASP1ALDH1A1KMT2A
SCHEMBL17985100 0.72

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
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed