SCHEMBL7045782

SCHEMBL7045782

CCCCc1c(C(=O)N[C@H](C)c2ccccc2)n(N)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.53
CNR1 P21554 3/20 0.51
POLB P06746 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TACR3 P29371 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL7049352 0.93 MEN1 (0.49) CNR2CNR1POLBTDP1MEN1
SCHEMBL7046760 0.93 MEN1 (0.49) CNR2CNR1POLBTDP1MEN1
SCHEMBL7045786 0.76 CNR2 (0.60) CNR2CNR1POLBTDP1MEN1
SCHEMBL7049357 0.73 MEN1 (0.55) CNR2CNR1POLBTDP1MEN1
SCHEMBL7046762 0.73 MEN1 (0.55) CNR2CNR1POLBTDP1MEN1
SCHEMBL4610877 0.67 KMT2A (0.51) POLBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL7046652 0.67 P2RX7 (0.47) CNR2CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL7046082 0.67 P2RX7 (0.44) CNR2CNR1KMT2ASMN1; SMN2KDM4E
SCHEMBL27617372 0.66 FOLH1 (0.52) POLBTDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24483324 0.65 PTGER4 (0.54) POLBSMN1; SMN2L3MBTL1HTTALDH1A1

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