SCHEMBL4038511

SCHEMBL4038511

COc1cccc(N2CCN(C(=O)c3cccc(Cl)c3)C(C3CCc4ccccc43)C2)c1.NC(=O)NC=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.43
GRIN2C Q14957 2/20 0.42
PTPN11 Q06124 1/20 0.40
DRD4 P21917 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
SCHEMBL4033360 0.89 HSD11B1 (0.47) HSD11B1
SCHEMBL4035814 0.89 HSD11B1 (0.47) HSD11B1
SCHEMBL4037786 0.89 HSD11B1 (0.47) HSD11B1
SCHEMBL4036731 0.89 HSD11B1 (0.47) HSD11B1
SCHEMBL4032546 0.89 HSD11B1 (0.47) HSD11B1
SCHEMBL4035864 0.71 MEN1 (0.44) DRD4
SCHEMBL1384325 0.67 MGLL (0.49) GRIN2C
SCHEMBL4037368 0.66 CCR1 (0.39)
SCHEMBL8239827 0.63 DRD1 (0.58) GRIN2C
SCHEMBL15139389 0.61 HSD11B1 (1.00) HSD11B1

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed