SCHEMBL9818664

SCHEMBL9818664

O=C(NCC1(c2ccccc2)CCCCC1)Nc1cc(Cl)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
MCHR1 Q99705 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TP53 P04637 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNA3 P22001 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 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
SCHEMBL9818624 0.88 TP53 (0.60) CNR1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL8007084 0.88 CNR1 (0.59) CNR1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL9818687 0.86 TP53 (0.60) CNR1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL9818764 0.85 ALDH1A1 (0.52) CNR1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL9818669 0.83 CNR1 (0.87) CNR1RAB9AMAPTLMNAL3MBTL1
SCHEMBL9818689 0.82 CNR1 (0.55) CNR1RAB9AMAPTLMNAL3MBTL1
SCHEMBL9818656 0.82 MAPT (0.65) CNR1RAB9AMAPTLMNAL3MBTL1
SCHEMBL9818668 0.78 CNR1 (0.70) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818610 0.78 TP53 (0.79) CNR1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL9818616 0.78 CFD (0.58) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1

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