SCHEMBL5571650

SCHEMBL5571650

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2D6 P10635 10/20 0.40
CYP1A2 P05177 6/20 0.40
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 4/20 0.37
DRD4 P21917 4/20 0.37
DRD2 P14416 3/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
USP2 O75604 2/20 0.36
RET P07949 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HCRTR2 O43614 1/20 0.35

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
SCHEMBL5572391 0.87 HSD17B10 (0.41) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL5572387 0.86 CYP2D6 (0.42) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL5571645 0.86 CYP2D6 (0.42) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL5571843 0.83 HRH3 (0.42) HSD17B10ALDH1A1CYP2D6CYP1A2ALOX15
SCHEMBL2700657 0.78 HCRTR2 (0.35) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL550861 0.78 HCRTR2 (0.35) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL551542 0.78 HCRTR2 (0.35) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL550860 0.78 HCRTR2 (0.35) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL551541 0.78 HCRTR2 (0.35) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL2700655 0.78 HCRTR2 (0.35) HSD17B10TSHRALDH1A1CYP2D6CYP1A2

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