SCHEMBL14136358

SCHEMBL14136358

CN(Cc1ccc(C#N)cc1)C1CCN(c2ccc(N=O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
CYP3A4 P08684 3/20 0.41
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
LSS P48449 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MCHR1 Q99705 1/20 0.38
RORC P51449 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL9451632 0.85 KDM4E (0.57) DPP4CYP3A4DPP9DPP7CHRNA10
SCHEMBL467367 0.84 MCHR1 (0.47) CYP3A4CHRNA10CHRNA9KDM4ETP53
Hydrochloric Acid SCHEMBL7339715 0.83 MCHR1 (0.47) CYP3A4CHRNA10CHRNA9KDM4ETP53
SCHEMBL14183554 0.82 KCNJ1 (0.50) LSS
SCHEMBL27629490 0.75 NPY5R (0.46) DPP4CYP3A4CHRNA10CHRNA9KDM4E
SCHEMBL7225036 0.74 KDM4E (0.53) CYP3A4CHRNA10CHRNA9KDM4ETP53
SCHEMBL7338838 0.74 CHIA (0.47) CYP3A4CHRNA10CHRNA9KDM4ETP53
SCHEMBL9451684 0.73 KDM4E (0.49) LSSKDM4ETP53MCHR1RORC
SCHEMBL25087719 0.73 HRH3 (0.68) DPP4DPP9DPP7NOS3NOS1
SCHEMBL9147472 0.72 DPP4 (0.47) DPP4DPP9DPP7NOS3NOS1

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-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed