SCHEMBL9818669

SCHEMBL9818669

O=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(Cl)cc1

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.87
LMNA P02545 5/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
EPHX2 P34913 4/20 0.55
CYP2D6 P10635 1/20 0.54
CYP2C8 P10632 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL22834259 0.93 CNR1 (1.00) CNR1MAPTSMN1; SMN2EPHX2CYP2D6
SCHEMBL9818668 0.90 CNR1 (0.70) CNR1LMNASMN1; SMN2L3MBTL1NPSR1
SCHEMBL300331 0.89 CNR1 (0.72) CNR1LMNASMN1; SMN2L3MBTL1NPSR1
SCHEMBL9818691 0.87 CNR1 (0.66) CNR1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9818576 0.87 LMNA (0.68) CNR1LMNASMN1; SMN2L3MBTL1NPSR1
SCHEMBL9818621 0.87 CNR1 (0.66) CNR1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9818715 0.86 CNR1 (0.65) CNR1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9818656 0.86 MAPT (0.65) CNR1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9818592 0.85 CNR1 (0.63) CNR1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9818721 0.85 CNR1 (0.63) CNR1LMNAMAPTSMN1; SMN2L3MBTL1

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
US-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US disclosed