SCHEMBL551507

SCHEMBL551507

O=C1N([C@H]2CC[C@@H](O)CC2)CCC12CCCN(c1ncccn1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.43
HSD17B10 Q99714 10/20 0.43
ALDH1A1 P00352 7/20 0.43
CYP1A2 P05177 7/20 0.41
HCRTR2 O43614 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
TSHR P16473 4/20 0.40
HSD11B1 P28845 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL550959 1.00 CYP2D6 (0.43) CYP2D6HSD17B10ALDH1A1CYP1A2HCRTR2
SCHEMBL2700530 1.00 CYP2D6 (0.43) CYP2D6HSD17B10ALDH1A1CYP1A2HCRTR2
SCHEMBL550960 1.00 CYP2D6 (0.43) CYP2D6HSD17B10ALDH1A1CYP1A2HCRTR2
SCHEMBL551508 1.00 CYP2D6 (0.43) CYP2D6HSD17B10ALDH1A1CYP1A2HCRTR2
SCHEMBL2700526 1.00 CYP2D6 (0.43) CYP2D6HSD17B10ALDH1A1CYP1A2HCRTR2
SCHEMBL549917 0.87 HSD11B1 (0.36) CYP2D6HSD17B10ALDH1A1HCRTR2HSD11B1
SCHEMBL549517 0.87 HSD11B1 (0.36) CYP2D6HSD17B10ALDH1A1HCRTR2HSD11B1
SCHEMBL2701235 0.87 HSD11B1 (0.38) CYP2D6CYP1A2CYP2C9CYP2C19HSD11B1
SCHEMBL550534 0.87 HSD11B1 (0.36) CYP2D6HSD17B10ALDH1A1HCRTR2HSD11B1
SCHEMBL549916 0.87 HSD11B1 (0.36) CYP2D6HSD17B10ALDH1A1HCRTR2HSD11B1

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