SCHEMBL549761

SCHEMBL549761

O=C1N(C2CCC(O)CC2)CCC12CCCN(c1c(Cl)cccc1Cl)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.44
NOTUM Q6P988 1/20 0.38
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PTPN11 Q06124 1/20 0.32
WEE1 P30291 1/20 0.32

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
SCHEMBL2699438 1.00 HSD11B1 (0.44) HSD11B1NOTUMHTR1AHTR2CHTR2B
SCHEMBL2699441 1.00 HSD11B1 (0.44) HSD11B1NOTUMHTR1AHTR2CHTR2B
SCHEMBL549760 1.00 HSD11B1 (0.44) HSD11B1NOTUMHTR1AHTR2CHTR2B
SCHEMBL549289 1.00 HSD11B1 (0.44) HSD11B1NOTUMHTR1AHTR2CHTR2B
SCHEMBL549288 1.00 HSD11B1 (0.44) HSD11B1NOTUMHTR1AHTR2CHTR2B
SCHEMBL549967 0.88 HSD11B1 (0.44) HSD11B1NOTUMHTR1A
SCHEMBL550441 0.88 HSD11B1 (0.44) HSD11B1NOTUMHTR1A
SCHEMBL550442 0.88 HSD11B1 (0.44) HSD11B1NOTUMHTR1A
SCHEMBL549968 0.88 HSD11B1 (0.44) HSD11B1NOTUMHTR1A
SCHEMBL2699812 0.88 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
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed