SCHEMBL14467976

SCHEMBL14467976

CN1CCC2(CC1)CN(C(=O)N(C)C)c1ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.42
POLB P06746 1/20 0.41
AKT1 P31749 2/20 0.39
MAPK1 P28482 1/20 0.38
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36

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
SCHEMBL14425984 0.82 NOTUM (0.57) NOTUMAKT1SLC18A3SIGMAR1HDAC1
SCHEMBL1713442 0.82 AXL (0.46) POLBAKT1
SCHEMBL13001191 0.81 AKT1 (0.43) NOTUMPOLBAKT1SIGMAR1
SCHEMBL12999388 0.81 AXL (0.37) NOTUMPOLBAKT1
SCHEMBL12084772 0.80 AXL (0.36) NOTUMPOLB
SCHEMBL13000644 0.79 MEN1 (0.41) POLBAKT1SIGMAR1
SCHEMBL13000501 0.79 CTSS (0.39) POLB
SCHEMBL14580805 0.79 OPRM1 (0.44)
SCHEMBL5578657 0.79 HTT (0.40) NOTUMMAPK1
SCHEMBL12999808 0.79 EPHX2 (0.37) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076070-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed