SCHEMBL5572077

SCHEMBL5572077

O[C@H]1CC[C@H](N2CC[C@]3(CCCN(c4ccnc(Cl)c4)C3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.41
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 6/20 0.39
CYP2C9 P11712 6/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 7/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 1/20 0.37
HIF1A Q16665 5/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5571522 0.78 MALT1 (0.39) CYP3A4TSHRCYP2D6CYP2C9CYP1A2
SCHEMBL2699553 0.78 HTR7 (0.42)
SCHEMBL550724 0.78 HTR7 (0.42)
SCHEMBL550723 0.78 HTR7 (0.42)
SCHEMBL553721 0.78 HTR7 (0.42)
SCHEMBL553722 0.78 HTR7 (0.42)
SCHEMBL2699556 0.78 HTR7 (0.42)
SCHEMBL5571772 0.76 CYP2D6 (0.42) CYP3A4TSHRCYP2D6CYP2C9CYP1A2
SCHEMBL5568522 0.76 CYP3A4 (0.41) CYP3A4TSHRMEN1KMT2ACYP2D6
SCHEMBL5572526 0.75 OGA (0.38) CYP3A4TSHRMEN1KMT2ACYP2D6

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