SCHEMBL40133

SCHEMBL40133

CN(CCN1CCN(C(C)(C)C)CC1)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.41
BRAF P15056 6/20 0.39
HRH4 Q9H3N8 1/20 0.38
SMYD2 Q9NRG4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
RAF1 P04049 2/20 0.35
DDR2 Q16832 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
ROCK2 O75116 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL46676 0.95 SLC34A2 (0.43) SLC34A2BRAFHRH4SMYD2KDM4E
SCHEMBL46466 0.93 SLC34A2 (0.41) SLC34A2BRAFHRH4SMYD2KDM4E
SCHEMBL16804643 0.93 BRAF (0.43) SLC34A2BRAFHRH4KDM4ERAF1
SCHEMBL40137 0.93 CHRM3 (0.43) SLC34A2BRAFHRH4SMYD2KDM4E
SCHEMBL46807 0.92 SLC34A2 (0.41) SLC34A2BRAFHRH4SMYD2KDM4E
SCHEMBL39748 0.92 SLC34A2 (0.41) SLC34A2BRAFHRH4SMYD2KDM4E
SCHEMBL40227 0.90 SLC34A2 (0.41) SLC34A2BRAFHRH4SMYD2KDM4E
SCHEMBL10290803 0.90 SLC34A2 (0.41) SLC34A2BRAFHRH4SMYD2DRD2
SCHEMBL40112 0.88 SLC34A2 (0.48) SLC34A2BRAFHRH4SMYD2KDM4E
SCHEMBL39897 0.87 SLC34A2 (0.38) SLC34A2BRAFHRH4SMYD2KDM4E

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed