SCHEMBL5572387

SCHEMBL5572387

O[C@H]1CC[C@@H](N2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.42
HSD17B10 Q99714 12/20 0.42
CYP1A2 P05177 10/20 0.42
ALDH1A1 P00352 9/20 0.42
CYP3A4 P08684 9/20 0.42
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
USP2 O75604 1/20 0.40
HIF1A Q16665 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5571645 1.00 CYP2D6 (0.42) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5569044 0.88 CYP2D6 (0.42) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5572048 0.88 CYP2D6 (0.42) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5571843 0.87 HRH3 (0.42) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5571650 0.86 HSD17B10 (0.42) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5572194 0.84 SPR (0.36) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5572215 0.84 SPR (0.36) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5571772 0.82 CYP2D6 (0.42) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5571420 0.82 SPR (0.35) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL5572251 0.80 CYP3A4 (0.43) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP claimed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO claimed