SCHEMBL14174752

SCHEMBL14174752

CCC(=O)N(CCN(C)C)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.49
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MLYCD O95822 1/20 0.41
CNR2 P34972 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CNR1 P21554 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL14174738 0.86 TP53 (0.65) OPRM1TP53SMN1; SMN2MLYCDCNR2
SCHEMBL3146589 0.86 PHLPP2 (0.44) OPRM1TP53SMN1; SMN2MLYCDSIGMAR1
SCHEMBL14174742 0.86 TP53 (0.42) OPRM1TP53SMN1; SMN2MLYCDCNR2
SCHEMBL7826288 0.84 MLYCD (0.43) OPRM1TP53SMN1; SMN2MLYCDCNR2
SCHEMBL7830726 0.84 MEN1 (0.45) TP53SMN1; SMN2MLYCDROCK2
SCHEMBL14174753 0.83 TP53 (0.53) TP53SMN1; SMN2MLYCD
SCHEMBL14174750 0.82 TP53 (0.47) OPRM1TP53SMN1; SMN2MLYCDCNR2
SCHEMBL7830722 0.82 MLYCD (0.41) TP53SMN1; SMN2MLYCDROCK2
SCHEMBL14174754 0.81 KDM4E (0.48) TP53SMN1; SMN2MLYCDROCK2
SCHEMBL14174746 0.81 MLYCD (0.42) OPRM1TP53SMN1; SMN2MLYCDCNR2

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
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed