SCHEMBL4592572

SCHEMBL4592572

COC(=O)[C@@]12CC[C@@H](CC(c3cccc4ccccc34)C1)N2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.39
MTNR1B P49286 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RCE1 Q9Y256 1/20 0.37
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ATM Q13315 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL1012742 0.82 MEN1 (0.40) SLC6A4MEN1KMT2AOPRD1
SCHEMBL4591521 0.80 SLC6A3 (0.45) SLC6A4
SCHEMBL23924861 0.76 SLC6A3 (0.40) SLC6A4
SCHEMBL3655052 0.75 SLC6A4 (0.41) SLC6A4
SCHEMBL30899722 0.75 OPRK1 (0.42) SLC6A4HRH3
SCHEMBL8481404 0.75 OPRK1 (0.42) SLC6A4HRH3
SCHEMBL4591913 0.72 MEN1 (0.46) MEN1KMT2ACYP2C9CYP2C19
SCHEMBL1177871 0.71 TRPV1 (0.37) MEN1KMT2AMAPK1CYP2C9
SCHEMBL7349981 0.70 LMNA (0.32) MEN1KMT2ACYP2C9
SCHEMBL9493823 0.69 AKR1B1 (0.33)

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-1945212-A1 TREATMENT OF DIABETES NEUROSEARCH A/S (DK) 2008-07-23 EP disclosed
WO-2007051594-A1 TREATMENT OF DIABETES NEUROSEARCH A/S (DK) 2007-05-10 WO disclosed