SCHEMBL14548877

SCHEMBL14548877

Cc1ccc2c(c1)C(NC(=O)c1ccc(-c3ccccc3)cc1)[C@H](O)C2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.55
CHRM2 P08172 8/20 0.55
CHRM4 P08173 8/20 0.55
NAMPT P43490 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MMP9 P14780 2/20 0.46
MMP2 P08253 1/20 0.46
SMYD3 Q9H7B4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL4870913 0.86 CHRM1 (0.53) CHRM1CHRM2CHRM4NAMPTSMN1; SMN2
SCHEMBL4868985 0.86 CHRM1 (0.53) CHRM1CHRM2CHRM4NAMPTSMN1; SMN2
SCHEMBL4868987 0.86 CHRM1 (0.53) CHRM1CHRM2CHRM4NAMPTSMN1; SMN2
SCHEMBL4873762 0.82 CHRM1 (0.50) CHRM1CHRM2CHRM4NAMPTSMN1; SMN2
SCHEMBL4867618 0.82 CHRM1 (0.50) CHRM1CHRM2CHRM4NAMPTSMN1; SMN2
SCHEMBL4867624 0.82 CHRM1 (0.50) CHRM1CHRM2CHRM4NAMPTSMN1; SMN2
SCHEMBL8740549 0.76 NAMPT (0.65) NAMPTMEN1KMT2AMMP9MMP2
SCHEMBL3461884 0.76 NAMPT (0.65) NAMPTMEN1KMT2AMMP9MMP2
SCHEMBL8092135 0.76 NAMPT (0.65) NAMPTMEN1KMT2AMMP9MMP2
SCHEMBL3106753 0.76 NAMPT (0.58) CHRM1CHRM2CHRM4NAMPTSMN1; SMN2

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
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 EP disclosed