SCHEMBL20118620

SCHEMBL20118620

CSc1ccc(OCC2CC2)c(C2=CN(C)CCc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.37
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
P2RX3 P56373 1/20 0.33
PTGER1 P34995 1/20 0.33
SPIN1 Q9Y657 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
PDE10A Q9Y233 1/20 0.32
EGFR P00533 1/20 0.32
RIPK1 Q13546 1/20 0.32
SLC18A2 Q05940 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
SCHEMBL16654996 0.71 BRD4 (0.54) BRD4
SCHEMBL20094747 0.69 BRD4 (0.56) BRD4
SCHEMBL19930642 0.69 BRD4 (0.38) BRD4HTR2AHTR2CHTR2BPDE10A
SCHEMBL20155051 0.67 BRD4 (0.35) BRD4P2RX3
SCHEMBL19931012 0.67 BRD4 (0.37) BRD4PTGER1
SCHEMBL21915864 0.67 BRD4 (0.68) BRD4
SCHEMBL20155419 0.66 BRD4 (0.33) BRD4P2RX3
SCHEMBL19931061 0.66 BRD4 (0.47) BRD4
SCHEMBL19931229 0.66 BRD4 (0.49) BRD4
SCHEMBL19931063 0.66 BRD4 (0.49) BRD4

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-2018081475-A1 BROMODOMAIN AND EXTRA-TERMINAL PROTEIN INHIBITOR COMBINATION THERAPY CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 WO disclosed