SCHEMBL4733445

SCHEMBL4733445

Cc1cnc(NC(=O)C(C)(C)C2CC2)cc1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
KMT2A Q03164 3/20 0.40
NAMPT P43490 1/20 0.40
KCNJ6 P48051 1/20 0.39
KCNJ3 P48549 1/20 0.39
ABL1 P00519 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
AR P10275 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPA1 O75762 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
RORC P51449 1/20 0.37
NPY5R Q15761 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4731778 0.91 GAA (0.46) RAB9AKMT2ANAMPTABL1CNR2
SCHEMBL4730642 0.83 ALDH1A1 (0.47) RAB9AKMT2AABL1CNR2ALDH1A1
SCHEMBL4734236 0.78 CNR2 (0.41) RAB9AKMT2ANAMPTCNR2CNR1
SCHEMBL4729966 0.74 CNR2 (0.41) RAB9AKMT2ANAMPTCNR2CNR1
SCHEMBL4729959 0.72 CNR2 (0.51) RAB9AABL1CNR2CNR1
SCHEMBL4730027 0.68 CNR2 (0.42) RAB9AKMT2ANAMPTCNR2CNR1
SCHEMBL4729137 0.66 CNR2 (0.80) CNR2CNR1
SCHEMBL14206664 0.66 CNR2 (0.58) KMT2ACNR2CNR1ALDH1A1MEN1
SCHEMBL14207395 0.66 CNR2 (0.60) RAB9AABL1CNR2CNR1ALDH1A1
SCHEMBL27753617 0.65 NPY5R (0.53) RAB9ACNR2CNR1ALDH1A1NPY5R

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