SCHEMBL4591913

SCHEMBL4591913

COC(=O)[C@@]12CC[C@@H](CC(Cc3ccccc3)C1)N2C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
NR1H2 P55055 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 1/20 0.39

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 0.80 MEN1 (0.40) MEN1KMT2AMAPT
SCHEMBL11100675 0.75 PRMT6 (0.42)
SCHEMBL7349981 0.73 LMNA (0.32) MEN1KMT2AALDH1A1CYP2C9
SCHEMBL4592572 0.72 MTNR1A (0.39) MEN1KMT2ACYP2C9CYP2C19
SCHEMBL4591521 0.72 SLC6A3 (0.45)
SCHEMBL23924861 0.71 SLC6A3 (0.40)
SCHEMBL10714899 0.71 STS (0.45) MEN1KMT2AALDH1A1
SCHEMBL3655052 0.71 SLC6A4 (0.41)
SCHEMBL8481404 0.71 OPRK1 (0.42)
SCHEMBL30899722 0.71 OPRK1 (0.42)

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