SCHEMBL4729966

SCHEMBL4729966

Cc1cnc(NC(=O)C(C)(C)C2CC2)cc1CN(C)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.40
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
NAMPT P43490 1/20 0.36
HDAC1 Q13547 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4783553 0.85 CNR2 (0.53) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL14206664 0.81 CNR2 (0.58) CNR2CNR1TSHRALDH1A1MEN1
SCHEMBL4729959 0.77 CNR2 (0.51) CNR2CNR1RAB9A
SCHEMBL4730642 0.76 ALDH1A1 (0.47) CNR2TSHRALDH1A1RAB9AKMT2A
SCHEMBL4733445 0.74 RAB9A (0.40) CNR2CNR1KDM4EALDH1A1MEN1
SCHEMBL4733798 0.74 CNR2 (0.45) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL4733593 0.74 CNR2 (0.52) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL4734267 0.73 CNR2 (0.50) CNR2CNR1TSHRMEN1RAB9A
SCHEMBL4729137 0.71 CNR2 (0.80) CNR2CNR1
SCHEMBL4732445 0.67 CNR2 (0.53) CNR2CNR1

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 3 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
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed