SCHEMBL6576897

SCHEMBL6576897

CN1C2CC[C@@H]1CC(Sc1ccc3[nH]c(=O)ccc3c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
F11 P03951 1/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL14573411 1.00 CA12 (0.43) CA12CA9MEN1KMT2AF11
SCHEMBL5636643 1.00 CA12 (0.43) CA12CA9MEN1KMT2AF11
SCHEMBL14573437 0.95 CA12 (0.41) CA12CA9MEN1KMT2AF11
SCHEMBL4873979 0.82 MEN1 (0.46) CA12CA9MEN1KMT2AF11
SCHEMBL14573412 0.82 POLB (0.38) POLBBRD4ATAD2
SCHEMBL5636834 0.82 POLB (0.38) POLBBRD4ATAD2
SCHEMBL14573406 0.80 CHRNA7 (0.40)
SCHEMBL5635488 0.80 CHRNA7 (0.40)
SCHEMBL14573431 0.79 NOS1 (0.44) MEN1KMT2AMAPT
SCHEMBL5637988 0.79 NOS1 (0.44) MEN1KMT2AMAPT

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-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 WO disclosed