SCHEMBL3045877

SCHEMBL3045877

O=C(c1ccc(-c2cc(Cl)c(CN3CC[C@]4(CC[C@H](O)CC4)C3=O)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.42
NAMPT P43490 2/20 0.38
SPR P35270 4/20 0.36
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE7B Q9NP56 1/20 0.35
EIF4E P06730 1/20 0.35
MGLL Q99685 3/20 0.35
HTR2B P41595 2/20 0.35
HDAC11 Q96DB2 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
SCHEMBL3033937 1.00 RIPK1 (0.42) RIPK1NAMPTSPRPDE5APDE4A
SCHEMBL1752110 1.00 RIPK1 (0.42) RIPK1NAMPTSPRPDE5APDE4A
SCHEMBL1750125 0.94 RIPK1 (0.41) RIPK1NAMPTSPRPDE5APDE4A
SCHEMBL1750671 0.93 RIPK1 (0.41) RIPK1NAMPTSPRPDE5APDE4A
SCHEMBL1750369 0.88 RIPK1 (0.46) RIPK1PDE5APDE4APDE1APDE1B
SCHEMBL1750051 0.88 RIPK1 (0.46) RIPK1PDE5APDE4APDE1APDE1B
SCHEMBL1750368 0.88 RIPK1 (0.46) RIPK1PDE5APDE4APDE1APDE1B
SCHEMBL1751913 0.83 RIPK1 (0.39) RIPK1NAMPTMGLLHTR2B
SCHEMBL12529152 0.83 HDAC6 (0.36) RIPK1NAMPTSPRPDE5APDE4A
SCHEMBL2301303 0.81 NAMPT (0.41) NAMPTSPREIF4EMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035379-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-06-16 EP claimed