SCHEMBL7045786

SCHEMBL7045786

CCCCn1c(C(=O)N[C@H](C)c2ccccc2)c(N)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
CNR1 P21554 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7049357 0.93 MEN1 (0.55) CNR2POLBTDP1CNR1MEN1
SCHEMBL7046762 0.93 MEN1 (0.55) CNR2POLBTDP1CNR1MEN1
SCHEMBL7045782 0.76 CNR2 (0.53) CNR2POLBTDP1CNR1MEN1
SCHEMBL24483324 0.74 PTGER4 (0.54) POLBKDM4EL3MBTL1SMN1; SMN2HTT
SCHEMBL31383501 0.74 KDM4E (0.60) CNR2CNR1KDM4EMAPK1NPSR1
SCHEMBL7049352 0.73 MEN1 (0.49) CNR2POLBTDP1CNR1MEN1
SCHEMBL7046760 0.73 MEN1 (0.49) CNR2POLBTDP1CNR1MEN1
SCHEMBL25433493 0.69 TSHR (0.51) CNR2POLBCNR1MEN1KMT2A
SCHEMBL25437053 0.68 NPC1 (0.56) CNR2CNR1KDM4EALDH1A1
SCHEMBL27967763 0.68 PGR (0.52) CNR2CNR1ALDH1A1

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-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 EP claimed