SCHEMBL248208

SCHEMBL248208

CN1CCN(c2ccc(CNC(=O)c3cnc4ncccc4c3)cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
EPHX2 P34913 4/20 0.46
AURKA O14965 1/20 0.45
PDPK1 O15530 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AURKB Q96GD4 1/20 0.45
CSF1R P07333 2/20 0.45
FLT4 P35916 2/20 0.45
PDGFRA P16234 1/20 0.45
FLT3 P36888 1/20 0.45
KCNH2 Q12809 1/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
PSMD14 O00487 1/20 0.44
STAMBP O95630 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
ROS1 P08922 1/20 0.43
ALK Q9UM73 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL617215 0.85 CSF1R (0.46) TRPV1EPHX2AURKAPDPK1RPS6KB1
SCHEMBL619784 0.78 TRPV1 (0.53) TRPV1KLKB1
SCHEMBL617313 0.77 ENPP2 (0.46) TRPV1CSF1RFLT4PDGFRAFLT3
SCHEMBL616887 0.76 CSF1R (0.47) TRPV1AURKARPS6KB1AURKBCSF1R
SCHEMBL250792 0.76 TRPV1 (0.46) TRPV1EPHX2AURKAPDPK1RPS6KB1
SCHEMBL619224 0.76 TRPV1 (0.43) TRPV1CSF1RFLT4PDGFRAFLT3
SCHEMBL253706 0.76 MLYCD (0.58) TRPV1PSMD14STAMBPCYP3A4CYP2D6
SCHEMBL252287 0.75 STAMBP (0.51) PSMD14STAMBPCYP3A4CYP2C9CYP2C19
SCHEMBL253234 0.75 PSMD14 (0.50) PSMD14STAMBPCYP3A4CYP2C19
SCHEMBL248207 0.75 CSF1R (0.43) TRPV1AURKAPDPK1RPS6KB1AURKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed