SCHEMBL14622908

SCHEMBL14622908

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(CC(O)CN3CCN(c4nsc5ccccc45)CC3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.38
HTR2A P28223 7/20 0.38
HTR1A P08908 5/20 0.38
HTR7 P34969 4/20 0.38
HTR6 P50406 4/20 0.38
KCNH2 Q12809 1/20 0.38
DRD3 P35462 1/20 0.37

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
SCHEMBL5322150 0.83 KDM4E (0.38) DRD2HTR1ADRD3
SCHEMBL5325651 0.83 LMNA (0.47)
SCHEMBL5285665 0.82 HSD17B10 (0.35)
SCHEMBL5325599 0.82 KDM4E (0.38)
SCHEMBL14622410 0.81 MAPT (0.43)
SCHEMBL5321659 0.80 ALOX15 (0.43) KCNH2
SCHEMBL5323186 0.79 MAPT (0.51) HTR1A
SCHEMBL5321578 0.76 PTGS2 (0.37)
SCHEMBL5323252 0.75 PTGS2 (0.35)
SCHEMBL5327487 0.73 DNM1 (0.34)

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-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed