SCHEMBL4847372

SCHEMBL4847372

COC(=O)C(C)(c1ccccc1)N1CCC(F)(F)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.64
KCNN4 O15554 1/20 0.45
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
SRC P12931 1/20 0.39
CCR1 P32246 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL4736385 0.84 CHRM3 (0.63) CHRM3KCNN4
SCHEMBL1682974 0.82 CHRM3 (0.61) CHRM3KCNN4
SCHEMBL2014133 0.82 CHRM3 (0.61) CHRM3KCNN4
SCHEMBL2126929 0.82 CHRM3 (0.61) CHRM3KCNN4
SCHEMBL2127682 0.82 CHRM3 (0.61) CHRM3KCNN4
SCHEMBL4740203 0.80 CHRM3 (0.77) CHRM3OPRM1
SCHEMBL2126812 0.80 CHRM3 (0.62) CHRM3KCNN4SRC
SCHEMBL2128020 0.80 SMN1; SMN2 (0.52) CHRM3KCNN4OPRM1
SCHEMBL4736843 0.79 CHRM3 (0.66) CHRM3KCNN4
SCHEMBL14162123 0.79 CHRM3 (1.00) CHRM3

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-2008075006-A1 PIPERLDINUM COMPOUNDS FOR TREATMENT OF OBSTRUCTIVE PULMONARY DISEASES ( COPD) ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075006-A1 PIPERLDINUM COMPOUNDS FOR TREATMENT OF OBSTRUCTIVE PULMONARY DISEASES ( COPD) ASTRAZENECA AB (SE) 2008-06-26 WO disclosed