SCHEMBL20204869

SCHEMBL20204869

C[C@@H]1COc2c1ccc(Cl)c2OCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.34
FABP4 P15090 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
PDE4D Q08499 1/20 0.32
HPGD P15428 1/20 0.31
APP P05067 2/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
PTGS1 P23219 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL20207787 0.88 FABP4 (0.32) CHUKFABP4HTR2CHTR2BPDE4D
SCHEMBL20207782 0.83 APP (0.33) CHUKFABP4HTR2CHTR2BPDE4D
SCHEMBL21324920 0.83 HTR2C (0.35) CHUKFABP4HTR2CHTR2BAPP
SCHEMBL21324921 0.76 HTR2C (0.34) FABP4HTR2CHTR2B
SCHEMBL21324915 0.76 HTR2C (0.34) FABP4HTR2CHTR2B
SCHEMBL21690527 0.75 HTR2C (0.33) FABP4HTR2CHTR2B
SCHEMBL21533979 0.75 HTR2C (0.33) HTR2CHTR2B
SCHEMBL20204868 0.74 ADRA1A (0.40) CHUKFABP4HTR2CHTR2BPDE4D
SCHEMBL20207781 0.74 ADRA1A (0.40) CHUKFABP4HTR2CHTR2BPDE4D
SCHEMBL21533976 0.74 HTR2C (0.33) HTR2CHTR2B

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-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed