SCHEMBL1897475

SCHEMBL1897475

Cc1cc(C(=O)Nc2ccc(C3CCCCC3)cc2)n(Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
MAPT P10636 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
HTR1E P28566 1/20 0.47
S1PR3 Q99500 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
P2RY14 Q15391 1/20 0.44
SMYD3 Q9H7B4 2/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
DNM1L O00429 1/20 0.43
ACKR3 P25106 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FLT1 P17948 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
SCHEMBL7744394 0.81 NPSR1 (0.64) NPSR1MAPTPTGDR2SMN1; SMN2MAPK1
SCHEMBL147011 0.77 NPSR1 (0.65) NPSR1MAPTPTGDR2MAPK1CYP3A4
SCHEMBL147214 0.76 MAPT (0.67) NPSR1MAPTPTGDR2LMNARECQL
SCHEMBL3077688 0.75 P2RY14 (0.54) MAPTP2RY14LMNARECQLKCNJ6
SCHEMBL144387 0.75 NPSR1 (0.76) NPSR1MAPTPTGDR2MAPK1HTR1E
SCHEMBL1902360 0.75 KMT2A (0.57) NPSR1MAPTCYP3A4CYP2C9P2RY14
SCHEMBL146791 0.74 NPSR1 (0.78) NPSR1MAPTPTGDR2MAPK1FLT1
SCHEMBL13744085 0.72 RXFP1 (0.39)
SCHEMBL1900773 0.70 NPSR1 (0.90) NPSR1MAPTPTGDR2SMN1; SMN2MAPK1
SCHEMBL24798287 0.69 BRD4 (0.59) SMN1; SMN2CYP3A4CYP2C9P2RY14ALDH1A1

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-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed