SCHEMBL551295

SCHEMBL551295

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1ncc(F)cn1)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.38
HTR1A P08908 1/20 0.34
RIPK1 Q13546 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL549640 1.00 HSD11B1 (0.38) HSD11B1HTR1ARIPK1GPBAR1USP2
SCHEMBL549639 1.00 HSD11B1 (0.38) HSD11B1HTR1ARIPK1GPBAR1USP2
SCHEMBL551296 1.00 HSD11B1 (0.38) HSD11B1HTR1ARIPK1GPBAR1USP2
SCHEMBL2701235 1.00 HSD11B1 (0.38) HSD11B1HTR1ARIPK1GPBAR1USP2
SCHEMBL551358 1.00 HSD11B1 (0.38) HSD11B1HTR1ARIPK1GPBAR1USP2
SCHEMBL2699332 1.00 HSD11B1 (0.38) HSD11B1HTR1ARIPK1GPBAR1USP2
SCHEMBL2699330 1.00 HSD11B1 (0.38) HSD11B1HTR1ARIPK1GPBAR1USP2
SCHEMBL550495 1.00 HSD11B1 (0.38) HSD11B1HTR1ARIPK1GPBAR1USP2
SCHEMBL5632652 0.89 HSD11B1 (0.39) HSD11B1HTR1ARIPK1SIGMAR1
SCHEMBL4722160 0.89 HSD11B1 (0.39) HSD11B1HTR1ARIPK1SIGMAR1

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