SCHEMBL1689095

SCHEMBL1689095

O=C(NN1CCCCC1)c1[nH]nc2ncncc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CNR1 P21554 7/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
NTRK1 P04629 1/20 0.35
CNR2 P34972 2/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
ACHE P22303 1/20 0.34
VNN1 O95497 1/20 0.33

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
SCHEMBL1689099 0.78 MAPK8 (0.40) HTTCNR1MAPK8MAPK10LMNA
SCHEMBL5263268 0.77 HTT (0.41) HTTCNR1MAPK8MAPK10LMNA
SCHEMBL16516909 0.73 HCAR2 (0.36) CCNT1CCNA2CDK2CDK9NTRK1
SCHEMBL1689336 0.71 CCNA2 (0.42) CCNT1CCNA2CDK2CDK9NTRK1
SCHEMBL2954127 0.70 HTT (0.59) HTTCNR1MAPK8MAPK10LMNA
SCHEMBL5565066 0.68 CNR1 (0.47) HTTCNR1CNR2
SCHEMBL1689037 0.68 CYP1A2 (0.36) HTTCCNT1CCNA2CDK2CDK9
SCHEMBL5263270 0.67 WNT1 (0.47) HTTMAPK8MAPK10CLK2CLK3
SCHEMBL5308763 0.65 P2RX7 (0.54) HTTCNR1CNR2
SCHEMBL5616254 0.65 GABRG2 (0.38) LMNANTRK1

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
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed