SCHEMBL549916

SCHEMBL549916

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.36
CXCR3 P49682 1/20 0.33
CYP2D6 P10635 3/20 0.31
HSD17B10 Q99714 3/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
HCRTR2 O43614 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
SCHEMBL550534 1.00 HSD11B1 (0.36) HSD11B1CXCR3CYP2D6HSD17B10ALDH1A1
SCHEMBL2699742 1.00 HSD11B1 (0.36) HSD11B1CXCR3CYP2D6HSD17B10ALDH1A1
SCHEMBL549516 1.00 HSD11B1 (0.36) HSD11B1CXCR3CYP2D6HSD17B10ALDH1A1
SCHEMBL549517 1.00 HSD11B1 (0.36) HSD11B1CXCR3CYP2D6HSD17B10ALDH1A1
SCHEMBL549917 1.00 HSD11B1 (0.36) HSD11B1CXCR3CYP2D6HSD17B10ALDH1A1
SCHEMBL2699981 1.00 HSD11B1 (0.36) HSD11B1CXCR3CYP2D6HSD17B10ALDH1A1
SCHEMBL549983 1.00 HSD11B1 (0.36) HSD11B1CXCR3CYP2D6HSD17B10ALDH1A1
SCHEMBL2699738 1.00 HSD11B1 (0.36) HSD11B1CXCR3CYP2D6HSD17B10ALDH1A1
SCHEMBL5631229 0.89 CXCR3 (0.38) HSD11B1CXCR3OPRM1OPRL1HCRTR2
SCHEMBL4720344 0.89 CXCR3 (0.38) HSD11B1CXCR3OPRM1OPRL1HCRTR2

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