SCHEMBL6000454

SCHEMBL6000454

CC(=O)NC1CCN(Cc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.46
MRGPRX2 Q96LB1 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.45
SLC34A2 O95436 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
SCHEMBL46801 1.00 CCR2 (0.46) CCR2MRGPRX2MRGPRX1SLC34A2
SCHEMBL46454 1.00 CCR2 (0.46) CCR2MRGPRX2MRGPRX1SLC34A2
Trifluoroacetic Acid SCHEMBL18040405 0.98 CCR2 (0.44) CCR2MRGPRX2MRGPRX1SLC34A2
SCHEMBL5999504 0.96 MRGPRX2 (0.43) CCR2MRGPRX2MRGPRX1SLC34A2
SCHEMBL46665 0.92 CCR2 (0.48) CCR2MRGPRX2MRGPRX1SLC34A2
SCHEMBL46468 0.92 CCR2 (0.48) CCR2MRGPRX2MRGPRX1SLC34A2
SCHEMBL39817 0.88 SLC34A2 (0.43) SLC34A2
SCHEMBL10274674 0.88 SLC34A2 (0.46) CCR2MRGPRX2MRGPRX1SLC34A2
SCHEMBL46720 0.87 SLC34A2 (0.42) SLC34A2
SCHEMBL46689 0.86 MRGPRX2 (0.46) CCR2MRGPRX2MRGPRX1SLC34A2

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