SCHEMBL6853636

SCHEMBL6853636

O=C(OCc1ccccc1)N1CCc2c(n3c4c(cc(F)c(F)c24)OCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6487972 0.92 PTGDR2 (0.47) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6484031 0.91 PTGDR2 (0.47) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6495252 0.90 PTGDR2 (0.49) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6487502 0.87 MEN1 (0.47) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6492696 0.85 PTGDR2 (0.47) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6493912 0.84 MEN1 (0.47) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6502517 0.83 PTGDR2 (0.46) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6490814 0.82 MEN1 (0.47) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6852208 0.81 HTR2A (0.31) PTGDR2
SCHEMBL6483800 0.81 MEN1 (0.47) PTGDR2MEN1KMT2ANPSR1

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
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed