SCHEMBL551029

SCHEMBL551029

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1cc(F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.45
CXCR3 P49682 1/20 0.35
HSD11B1 P28845 3/20 0.35
CYP3A4 P08684 4/20 0.34
USP2 O75604 2/20 0.34
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR7 P34969 1/20 0.31
CCR2 P41597 2/20 0.31
KCNH2 Q12809 2/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL550699 1.00 FFAR4 (0.45) FFAR4CXCR3HSD11B1CYP3A4USP2
SCHEMBL551030 1.00 FFAR4 (0.45) FFAR4CXCR3HSD11B1CYP3A4USP2
SCHEMBL2698314 1.00 FFAR4 (0.45) FFAR4CXCR3HSD11B1CYP3A4USP2
SCHEMBL550700 1.00 FFAR4 (0.45) FFAR4CXCR3HSD11B1CYP3A4USP2
SCHEMBL2698310 1.00 FFAR4 (0.45) FFAR4CXCR3HSD11B1CYP3A4USP2
SCHEMBL549769 0.90 HSD11B1 (0.38) FFAR4HSD11B1
SCHEMBL550413 0.90 HSD11B1 (0.38) FFAR4HSD11B1
SCHEMBL550412 0.90 HSD11B1 (0.38) FFAR4HSD11B1
SCHEMBL2701197 0.90 HSD11B1 (0.38) FFAR4HSD11B1
SCHEMBL549770 0.90 HSD11B1 (0.38) FFAR4HSD11B1

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