SCHEMBL5998433

SCHEMBL5998433

NC1CCN(Cc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.47
CHRM3 P20309 1/20 0.45
ACKR3 P25106 3/20 0.43
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAP3K7 O43318 2/20 0.41
IRAK1 P51617 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
BRAF P15056 3/20 0.41
ALDH1A1 P00352 1/20 0.41
RAF1 P04049 2/20 0.40
DRD4 P21917 1/20 0.40
USP2 O75604 1/20 0.40
TLR9 Q9NR96 1/20 0.40
GLS O94925 1/20 0.40

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
SCHEMBL19596297 0.94 SLC34A2 (0.50) SLC34A2CHRM3ACKR3KDM4EMAP3K7
SCHEMBL46663 0.93 MAP3K7 (0.47) SLC34A2CHRM3ACKR3KCNH2CACNA1I
SCHEMBL46724 0.92 SLC34A2 (0.46) SLC34A2CHRM3ACKR3KCNH2CACNA1I
SCHEMBL10274674 0.91 SLC34A2 (0.46) SLC34A2CHRM3ACKR3DRD4
SCHEMBL46748 0.91 CHRM3 (0.58) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL15420846 0.89 SLC34A2 (0.48) SLC34A2CHRM3KDM4EMAP3K7IRAK1
SCHEMBL46515 0.89 SLC34A2 (0.51) SLC34A2CHRM3KDM4EBRAFRAF1
SCHEMBL46985 0.89 SLC34A2 (0.48) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL46725 0.89 CHRM3 (0.56) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL46468 0.89 CCR2 (0.48) SLC34A2

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
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed