SCHEMBL6166265

SCHEMBL6166265

CC(C)c1ccc(CN2CCCC2)c(N2CCNCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
CHRM2 P08172 2/20 0.38
SLC6A4 P31645 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR6 P50406 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL14355821 0.85 MEN1 (0.49) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL14356017 0.82 HTR1A (0.48) LMNACXCR4
SCHEMBL20884934 0.77 LMNA (0.56) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL7923468 0.77 LMNA (0.57) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL12075014 0.76 LMNA (0.42) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL20884932 0.76 HTR6 (0.44) LMNAALDH1A1TSHRCYP1A2CHRM2
SCHEMBL16744506 0.76 CXCR4 (0.48) LMNACYP1A2CHRM2SLC6A4OPRD1
SCHEMBL14387748 0.76 MGLL (0.55) ALDH1A1HTR1DCYP2D6SIGMAR1
SCHEMBL5340446 0.75 MGLL (0.49) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL22422339 0.75 ADRB1 (0.54) LMNACYP1A2HTR6DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed