SCHEMBL549968

SCHEMBL549968

O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccccc1Cl)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.44
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 1/20 0.38
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
HTR1A P08908 2/20 0.34
ADRA1B P35368 2/20 0.34
ALB P02768 1/20 0.34
ADRA1A P35348 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
SCHEMBL550441 1.00 HSD11B1 (0.44) HSD11B1POLBMEN1KMT2ANOTUM
SCHEMBL2699812 1.00 HSD11B1 (0.44) HSD11B1POLBMEN1KMT2ANOTUM
SCHEMBL2699815 1.00 HSD11B1 (0.44) HSD11B1POLBMEN1KMT2ANOTUM
SCHEMBL549967 1.00 HSD11B1 (0.44) HSD11B1POLBMEN1KMT2ANOTUM
SCHEMBL550442 1.00 HSD11B1 (0.44) HSD11B1POLBMEN1KMT2ANOTUM
SCHEMBL17082128 0.92 HSD11B1 (0.42) HSD11B1NOTUMHTR1A
SCHEMBL551282 0.92 HSD11B1 (0.42) HSD11B1NOTUMHTR1A
SCHEMBL2699453 0.92 HSD11B1 (0.42) HSD11B1NOTUMHTR1A
SCHEMBL549455 0.92 HSD11B1 (0.42) HSD11B1NOTUMHTR1A
SCHEMBL4570194 0.92 HSD11B1 (0.42) 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