SCHEMBL27495391

SCHEMBL27495391

[CH2]Cc1ccc(N(C(N)=O)c2cccc(OC)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 13/20 0.45
MTNR1A P48039 12/20 0.45
PARP1 P09874 1/20 0.43
PTGIR P43119 1/20 0.42
PTGDR Q13258 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B2 P37059 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B1 P14061 1/20 0.40

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
SCHEMBL28382188 0.86 PARP1 (0.56) MTNR1BMTNR1APARP1HSD17B2L3MBTL1
SCHEMBL27587725 0.83 ESR1 (0.50) MTNR1BMTNR1APARP1PTGIRPTGDR
SCHEMBL27493421 0.82 RAB9A (0.40) PARP1PTGIRNPC1RAB9ASMN1; SMN2
SCHEMBL27478927 0.80 NPSR1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL27494617 0.80 HTR3E (0.41) PARP1PTGIRPTGDRNPC1RAB9A
SCHEMBL27493797 0.75 PTGIR (0.41) MTNR1BMTNR1APTGIRNPC1RAB9A
SCHEMBL28844152 0.74 TRPM8 (0.56) MTNR1BMTNR1APARP1PTGIRPTGDR
SCHEMBL15779182 0.73 MTNR1A (0.46) MTNR1BMTNR1APARP1PTGIRPTGDR
SCHEMBL27587717 0.73 MTNR1A (0.46) MTNR1BMTNR1APARP1PTGIRPTGDR
SCHEMBL3470955 0.73 CA1 (0.55) PARP1NPC1RAB9ASMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177343-A Cell adhesion inhibitors BIOGEN INC (US) 1998-03-25 CN claimed
CN-1177343-A Cell adhesion inhibitors BIOGEN INC (US) 1998-03-25 CN disclosed