SCHEMBL21156708

SCHEMBL21156708

COc1cc(N)c(C2CCCC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.53
CYP3A4 P08684 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
HTR2C P28335 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL2957351 0.79 HTR2A (0.64) HTR2AHTR2C
SCHEMBL2572126 0.79 HTR2A (0.51) HTR2AHTR2CCA1CA2
SCHEMBL25566333 0.79 HTR2A (0.48) HTR2ACYP3A4HTR2C
SCHEMBL9953362 0.78 NPC1 (0.58) HTR2AHTR2CNPC1
SCHEMBL168792 0.77 TDO2 (0.43) HTR2ANPC1KDM4E
SCHEMBL24097713 0.77 HTR2A (0.48) HTR2ACYP3A4HTR2CCA1CA2
SCHEMBL4856372 0.75 CYP3A4 (0.38) HTR2ACYP3A4CA1CA2NPC1
SCHEMBL24097809 0.75 HTR2A (0.48) HTR2AHTR2CCA1CA2
SCHEMBL21157883 0.74 PTGDR2 (0.50) HTR2ACYP3A4HTR2CKDM4E
SCHEMBL30868519 0.74 HTR2A (0.54) HTR2APDGFRBPDGFRAHTR2CKDM4E

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-2019135604-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY 기초과학연구원 2019-07-11 WO disclosed