SCHEMBL1038320

SCHEMBL1038320

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](C(O)Cc4ccccc4)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 3/20 0.33
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
TP53 P04637 1/20 0.33
KCNH2 Q12809 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 1/20 0.32
GRM5 P41594 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL1038957 0.91 REN (0.33) RENBACE1
SCHEMBL1040349 0.89 REN (0.35) RENTHRBTP53MAPTALDH1A1
SCHEMBL1036571 0.88 MAPT (0.41) RENTHRBTP53MAPTALDH1A1
SCHEMBL1038578 0.88 REN (0.37) RENTHRBTP53MAPTALDH1A1
SCHEMBL1040647 0.88 REN (0.37) RENTHRBTP53MAPTALDH1A1
SCHEMBL1040648 0.88 REN (0.37) RENTHRBTP53MAPTALDH1A1
SCHEMBL1038580 0.88 REN (0.37) RENTHRBTP53MAPTALDH1A1
SCHEMBL3905401 0.87 REN (0.36) RENTHRBTP53MAPTALDH1A1
SCHEMBL1040580 0.87 REN (0.36) RENTHRBTP53MAPTALDH1A1
SCHEMBL1040582 0.87 REN (0.36) RENTHRBTP53MAPTALDH1A1

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-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed