SCHEMBL2823633

SCHEMBL2823633

CC(C)(Oc1ccc(Cl)cc1)C(=NC12CC3CC(CC(C3)C1)C2)NC#N

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
HSD11B1 P28845 19/20 0.43
HSD11B2 P80365 13/20 0.43

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
SCHEMBL2823384 0.83 HSD11B1 (0.47) P2RX7HSD11B1HSD11B2
SCHEMBL2826092 0.82 PPARA (0.40) HSD11B1HSD11B2
SCHEMBL2827329 0.81 PPARA (0.39) HSD11B1HSD11B2
SCHEMBL2834257 0.81 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL2824588 0.80 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL2823709 0.79 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL2828382 0.79 HSD11B1 (0.37) HSD11B1HSD11B2
SCHEMBL2823635 0.78 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL2823628 0.78 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL2824811 0.78 HSD11B1 (0.43) HSD11B1HSD11B2

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-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed