SCHEMBL5305249

SCHEMBL5305249

CN(C)CN(C(=O)C1CC1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
HTT P42858 1/20 0.50
PDK2 Q15119 3/20 0.45
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CYP3A4 P08684 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR88 Q9GZN0 1/20 0.37

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
SCHEMBL3916812 0.80 PDK2 (0.59) CNR2HTTPDK2HSD17B1HSD17B2
SCHEMBL5309035 0.77 MEN1 (0.51) CNR2HTTLMNAALDH1A1POLB
SCHEMBL4961925 0.76 CNR2 (0.47) CNR2HTTPDK2HSD17B1HSD17B2
SCHEMBL27771335 0.73 CNR2 (0.44) CNR2HTTPDK2HSD17B1HSD17B2
SCHEMBL6424264 0.73 PDK2 (0.56) CNR2PDK2HSD17B1HSD17B2ALDH1A1
SCHEMBL14174832 0.73 HTT (0.61) CNR2HTTPDK2NR1H4CNR1
SCHEMBL4966178 0.73 CNR2 (0.60) CNR2HTTNR1H4LMNACNR1
SCHEMBL6420648 0.73 HTT (0.43) CNR2HTTPDK2HSD17B1HSD17B2
SCHEMBL5086341 0.72 CNR2 (0.56) CNR2PDK2HSD17B1HSD17B2CNR1
SCHEMBL5133736 0.72 CNR2 (0.49) CNR2HTTPDK2HSD17B1HSD17B2

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
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2005079284-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2005-09-01 WO disclosed