SCHEMBL17082128

SCHEMBL17082128

O=C1N([C@H]2CC[C@@H](O)CC2)CC[C@@]12CCCN(c1cccc(Cl)c1Cl)C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
NOTUM Q6P988 1/20 0.41
PTPN11 Q06124 12/20 0.40
HTR1A P08908 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
ADRB1 P08588 1/20 0.36
DHODH Q02127 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
SCHEMBL4570194 1.00 HSD11B1 (0.42) HSD11B1NOTUMPTPN11HTR1ADRD2
SCHEMBL549455 1.00 HSD11B1 (0.42) HSD11B1NOTUMPTPN11HTR1ADRD2
SCHEMBL550649 1.00 HSD11B1 (0.42) HSD11B1NOTUMPTPN11HTR1ADRD2
SCHEMBL2699453 1.00 HSD11B1 (0.42) HSD11B1NOTUMPTPN11HTR1ADRD2
SCHEMBL2698077 1.00 HSD11B1 (0.42) HSD11B1NOTUMPTPN11HTR1ADRD2
SCHEMBL551282 1.00 HSD11B1 (0.42) HSD11B1NOTUMPTPN11HTR1ADRD2
SCHEMBL550698 1.00 HSD11B1 (0.42) HSD11B1NOTUMPTPN11HTR1ADRD2
SCHEMBL550442 0.92 HSD11B1 (0.44) HSD11B1NOTUMHTR1A
SCHEMBL550441 0.92 HSD11B1 (0.44) HSD11B1NOTUMHTR1A
SCHEMBL549967 0.92 HSD11B1 (0.44) HSD11B1NOTUMHTR1A

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-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed