SCHEMBL5572058

SCHEMBL5572058

COc1ccc(N2CCC[C@]3(CCN([C@H]4CC[C@H](O)CC4)C3)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
RET P07949 3/20 0.46
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CYP3A4 P08684 11/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 3/20 0.39
TSHR P16473 3/20 0.39
LCAT P04180 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 3/20 0.38
USP2 O75604 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 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
SCHEMBL20154561 0.81 CHRNB2 (0.54) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL20070653 0.80 CHRNB2 (0.53) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL2702630 0.78 CHRNB2 (0.45) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL549800 0.78 CHRNB2 (0.45) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL2702628 0.78 CHRNB2 (0.45) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL549801 0.78 CHRNB2 (0.45) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL550891 0.78 CHRNB2 (0.45) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL550890 0.78 CHRNB2 (0.45) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL20148753 0.78 CHRNB2 (0.51) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL5568522 0.77 CYP3A4 (0.41) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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