SCHEMBL5572048

SCHEMBL5572048

O[C@H]1CC[C@H](N2CC[C@]3(CCCN(c4ncc(Br)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
ALDH1A1 P00352 9/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 9/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 5/20 0.39
CYP1A2 P05177 11/20 0.39
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 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
SCHEMBL5569044 1.00 CYP2D6 (0.42) CYP2D6HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL5571645 0.88 CYP2D6 (0.42) CYP2D6HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL5572387 0.88 CYP2D6 (0.42) CYP2D6HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL5572188 0.82 RET (0.33) CYP2D6HSD17B10CYP3A4
SCHEMBL5571990 0.82 OPRK1 (0.36) CYP2D6HSD17B10
SCHEMBL5572531 0.82 OPRK1 (0.36) CYP2D6HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL5568288 0.82 OPRK1 (0.38) CYP2D6HSD17B10
SCHEMBL5572251 0.80 CYP3A4 (0.43) CYP2D6HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL5571772 0.78 CYP2D6 (0.42) CYP2D6HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL14027020 0.78 CYP3A4 (0.39) CYP2D6HSD17B10TSHRCYP3A4

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