SCHEMBL381006

SCHEMBL381006

CNC(=O)ON1CCC(N2CC[C@@H](Cc3c(Cl)cc(-c4ccc(C(=O)N5CCC(C(F)(F)F)CC5)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MET P08581 2/20 0.33
P2RX7 Q99572 2/20 0.33
HRH3 Q9Y5N1 4/20 0.33
SPR P35270 3/20 0.32
CXCR3 P49682 1/20 0.32
HTR2B P41595 1/20 0.32
MGLL Q99685 1/20 0.32
LRRK2 Q5S007 1/20 0.31
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL381544 0.90 NAMPT (0.38) NAMPTALDH1A1SMN1; SMN2METP2RX7
SCHEMBL381545 0.90 NAMPT (0.38) NAMPTALDH1A1SMN1; SMN2METP2RX7
SCHEMBL381543 0.88 NAMPT (0.36) NAMPTMETP2RX7HRH3SPR
SCHEMBL381542 0.88 NAMPT (0.36) NAMPTMETP2RX7HRH3SPR
SCHEMBL13031218 0.86 MET (0.36) NAMPTSMN1; SMN2METSPRHTR2B
SCHEMBL381499 0.86 MCHR1 (0.34) HRH3MGLL
SCHEMBL381332 0.86 MCHR1 (0.34) HRH3MGLL
SCHEMBL208372 0.86 HSD11B1 (0.41) NAMPTALDH1A1METSPRHTR2B
SCHEMBL381812 0.86 CHRM3 (0.33)
SCHEMBL381094 0.85 HDAC4 (0.41) PTPN1

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-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP claimed