SCHEMBL6551978

SCHEMBL6551978

O=C(NN1CCCCC1)c1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CNR1 P21554 8/20 0.46
PARP1 P09874 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
LTB4R Q15722 1/20 0.43
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
CNR2 P34972 4/20 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
SCHEMBL7046185 0.88 CDK5 (0.49) LMNALTB4RMAPK8MAPK10
SCHEMBL6552063 0.88 CNR1 (0.46) HTTCNR1PARP1LMNAPOLB
SCHEMBL7042512 0.88 CNR1 (0.58) CNR1PARP1TP53CNR2
SCHEMBL7046180 0.78 EPHX2 (0.50) CNR1LMNATP53CNR2
SCHEMBL7042653 0.77 CYP2D6 (0.53) LMNAPOLBMAPK8MAPK10
SCHEMBL7041816 0.77 SMN1; SMN2 (0.53) HTTCNR1LMNAPOLBCNR2
SCHEMBL7047760 0.77 LTB4R (0.49) LMNAPOLBLTB4R
SCHEMBL7045706 0.77 CNR1 (0.56) CNR1CNR2
SCHEMBL6552425 0.75 LTB4R (0.57) HTTPARP1LTB4R
SCHEMBL7042633 0.75 CNR1 (0.52) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed
EP-1482794-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY Merck & Co., Inc. (US) 2004-12-08 EP disclosed
WO-2003075660-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY MERCK & CO., INC. (US) 2003-09-18 WO disclosed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed