SCHEMBL7044448

SCHEMBL7044448

CCCc1c(C(=O)NCC2CC2)n(N)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.41
P2RX7 Q99572 1/20 0.41
HTR2A P28223 3/20 0.39
KCNH2 Q12809 1/20 0.38
PARP1 P09874 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
SCHEMBL7046082 0.95 P2RX7 (0.44) HTR4P2RX7
SCHEMBL7046652 0.95 P2RX7 (0.47) HTR4P2RX7
SCHEMBL6746510 0.94 P2RX7 (0.48) HTR4P2RX7
SCHEMBL4610877 0.78 KMT2A (0.51)
SCHEMBL4613206 0.76 MEN1 (0.41)
SCHEMBL7044113 0.76 ALDH1A1 (0.52)
SCHEMBL7047164 0.76 CA2 (0.52)
SCHEMBL4612617 0.76 MEN1 (0.52)
SCHEMBL4611362 0.75 TP53 (0.52)
SCHEMBL7046760 0.74 MEN1 (0.49)

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