SCHEMBL4733418

SCHEMBL4733418

CCOc1cnc(NC(=O)C(C)C2CC2)cc1CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.49
CNR1 P21554 5/20 0.49
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
GSK3B P49841 1/20 0.41
CHEK1 O14757 1/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
TSHR P16473 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL4734257 0.86 CNR2 (0.66) CNR2CNR1PDCD1CD274
SCHEMBL4735443 0.82 CNR2 (0.60) CNR2CNR1LMNAMAPT
SCHEMBL4729646 0.81 CNR2 (0.54) CNR2CNR1LMNAMAPTGSK3B
SCHEMBL4734332 0.80 CNR2 (0.63) CNR2CNR1LMNAMAPTTSHR
SCHEMBL4729957 0.80 CNR2 (0.60) CNR2CNR1LMNAMAPTCHEK1
SCHEMBL4729643 0.79 CNR2 (0.77) CNR2CNR1LMNAMAPT
SCHEMBL4734178 0.79 CNR2 (0.65) CNR2CNR1LMNAMAPT
SCHEMBL4733802 0.78 CNR2 (0.76) CNR2CNR1LMNAMAPTCHEK1
SCHEMBL4732125 0.78 CNR2 (0.76) CNR2CNR1LMNAMAPTCHEK1
SCHEMBL4733039 0.78 CNR2 (0.77) CNR2CNR1LMNAMAPTCACNA1B

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-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO claimed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed