SCHEMBL4000127

SCHEMBL4000127

CN1[C@@H]2CC(O)C[C@H]1C(O)C2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CYP2C9 P11712 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.41
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
CHRM4 P08173 2/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL1427292 1.00 LMNA (0.54) LMNACYP2C9MEN1KMT2ATDP1
SCHEMBL29710926 1.00 LMNA (0.54) LMNACYP2C9MEN1KMT2ATDP1
SCHEMBL17972987 0.90
SCHEMBL13450308 0.81 MEN1 (0.47) LMNACYP2C9MEN1KMT2ATDP1
SCHEMBL16303393 0.79 MEN1 (0.46) LMNACYP2C9MEN1KMT2ATDP1
SCHEMBL8849930 0.79 MEN1 (0.50) LMNACYP2C9MEN1KMT2ATDP1
SCHEMBL7688345 0.79 MEN1 (0.42) LMNACYP2C9MEN1KMT2ATDP1
SCHEMBL17752558 0.76 MEN1 (0.43) LMNACYP2C9MEN1KMT2ATDP1
SCHEMBL6745315 0.75
SCHEMBL6081411 0.75

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
WO-2009073942-A1 TROPANE ALKALOIDS AND TRIGONELLINE COMBINATIONS AND METHODS FOR ADMINISTERING THE SAME IOVATE T. & P. INC. (CA) 2009-06-18 WO disclosed
US-20090156634-A1 Tropane alkaloids and trigonelline combinations and methods for administering the same IOVATE T. & P. INC. (CA) 2009-06-18 US disclosed