SCHEMBL7746065

SCHEMBL7746065

CN(C)CCNc1ccc(F)cc1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.44
NQO2 P16083 3/20 0.43
NQO1 P15559 1/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CSF1R P07333 2/20 0.39
PRSS1 P07477 1/20 0.39
TDO2 P48775 1/20 0.39
ACKR3 P25106 1/20 0.39
FLT3 P36888 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL7088249 0.90 SMN1; SMN2 (0.44) HDAC1HDAC3PRSS1FLT3
SCHEMBL7746058 0.87 NCF1 (0.44) NCF1NQO2NQO1HDAC1ALDH1A1
SCHEMBL31172321 0.87 NCF1 (0.44) NCF1NQO2NQO1HDAC1ALDH1A1
SCHEMBL15585982 0.83 NCF1 (0.47) NCF1ALDH1A1NPSR1HRH3PRSS1
SCHEMBL11720142 0.81 HDAC6 (0.55) NCF1ALDH1A1NPSR1HRH3PRSS1
SCHEMBL17678059 0.80 NCF1 (0.44) NCF1NQO2NQO1ALDH1A1NPSR1
SCHEMBL7745728 0.80 ALDH1A1 (0.48) NCF1ALDH1A1NPSR1HRH3SLC6A2
SCHEMBL18861724 0.78 NQO2 (0.44) NCF1NQO2NQO1ALDH1A1NPSR1
SCHEMBL5017658 0.77 HDAC1 (0.47) HDAC1HDAC3PRSS1
SCHEMBL4054487 0.77 HDAC1 (0.44) HDAC1HDAC3ALDH1A1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed