SCHEMBL7601160

SCHEMBL7601160

C=C(O)C1(Cc2cccc(NC(=O)C(c3ccc(Cn4nc(C(F)(F)F)ccc4=O)cc3)C(C)C(F)(F)F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 3/20 0.38
KCNJ5 P48544 3/20 0.38
KCNJ3 P48549 3/20 0.38
MET P08581 8/20 0.36
ACKR3 P25106 3/20 0.35
PARP1 P09874 1/20 0.35
CBLB Q13191 1/20 0.34

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
SCHEMBL1178248 0.95 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3METACKR3
SCHEMBL1178284 0.89 MET (0.38) KCNJ6KCNJ5KCNJ3METACKR3
SCHEMBL7601286 0.87 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3METACKR3
Bicarbonate SCHEMBL3696258 0.86 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3METACKR3
SCHEMBL3699959 0.86 KCNJ6 (0.42) KCNJ6KCNJ5KCNJ3METCBLB
SCHEMBL1178051 0.86 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3METCBLB
SCHEMBL1178397 0.84 MET (0.45) MET
SCHEMBL1178386 0.83 MET (0.41) KCNJ6KCNJ5KCNJ3METACKR3
SCHEMBL1178157 0.80 MET (0.45) MET
SCHEMBL1178294 0.80 PTGES (0.44) ACKR3

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed