SCHEMBL7055700

SCHEMBL7055700

Cc1c(-c2ccccc2)nn(C)c1N(Cc1cccc(C#N)c1)C(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.41
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD2 P14416 1/20 0.40
NR3C1 P04150 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ACSL1 P33121 1/20 0.38
MMP13 P45452 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RIPK1 Q13546 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MGLL Q99685 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
SCHEMBL7053828 0.69 NTRK1 (0.45) ALDH1A1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14108716 0.69 MAPT (0.38) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL6971447 0.66 SLC6A2 (0.41) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL3811128 0.64 NR1H4 (0.49) CPB1NR1H4
SCHEMBL6959626 0.64 OPRM1 (0.41) DRD4DRD3CHRM2CHRM1CHRM3
SCHEMBL934534 0.64 PTGDR2 (0.52) MMP13ALDH1A1
SCHEMBL6971033 0.64 NR3C1 (0.42) DRD4DRD3DRD2NR3C1ALDH1A1
SCHEMBL3811131 0.64 NR1H4 (0.49) CPB1NR1H4ALDH1A1
SCHEMBL6966662 0.64 NPSR1 (0.44) NR3C1ALDH1A1
SCHEMBL3811557 0.63 CPB1 (0.49) CPB1NR1H4

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed