SCHEMBL2760596

SCHEMBL2760596

N[C@@H]1c2cc([N+](=O)[O-])ccc2C[C@H]1OC(=O)[C@@H](O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2760727 1.00 LMNA (0.41) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL2760728 1.00 LMNA (0.41) LMNACYP2D6CYP2C9HSD17B10CHRM2
Mandelic Acid SCHEMBL2760729 0.81 LMNA (0.40) LMNACHRNB2CHRNB4CHRNA3CHRNA4
Mandelic Acid SCHEMBL2760726 0.81 LMNA (0.40) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7101254 0.79 CYP3A4 (0.43) CYP2C9SMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL7101251 0.79 CYP3A4 (0.43) CYP2C9SMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL12102700 0.72 CHRNB4 (0.41) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2760597 0.72 GRM8 (0.36) LMNACYP2D6CYP2C9HSD17B10SMN1; SMN2
SCHEMBL16105229 0.70 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2760561 0.70 CHRNB4 (0.48) LMNACHRNB2CHRNB4CHRNA3CHRNA4

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-1534667-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2010-12-15 EP disclosed