SCHEMBL20207787

SCHEMBL20207787

C[C@H]1CCOc2c1ccc(Cl)c2OCC1CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
PDE4D Q08499 1/20 0.31
CNR2 P34972 1/20 0.31
CHUK O15111 1/20 0.31
HPGD P15428 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL20204869 0.88 CHUK (0.34) FABP4HTR2CHTR2BPDE4DCHUK
SCHEMBL21324921 0.83 HTR2C (0.34) FABP4HTR2CHTR2BCNR2
SCHEMBL21324915 0.83 HTR2C (0.34) FABP4HTR2CHTR2BCNR2
SCHEMBL21533979 0.81 HTR2C (0.33) HTR2CHTR2BCNR2
SCHEMBL21533976 0.80 HTR2C (0.33) HTR2CHTR2BCNR2
SCHEMBL21690527 0.79 HTR2C (0.33) FABP4HTR2CHTR2BCNR2
SCHEMBL20207782 0.76 APP (0.33) FABP4HTR2CHTR2BPDE4DCNR2
SCHEMBL21324920 0.76 HTR2C (0.35) FABP4HTR2CHTR2BCNR2CHUK
SCHEMBL20204868 0.76 ADRA1A (0.40) FABP4HTR2CHTR2BPDE4DCHUK
SCHEMBL20207781 0.76 ADRA1A (0.40) FABP4HTR2CHTR2BPDE4DCHUK

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-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed