SCHEMBL13306352

SCHEMBL13306352

CC(C)OCCCNC(=O)[C@@H]1CCCCN1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.57
TLR2 O60603 2/20 0.51
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL20061869 0.87 PRCP (0.57) PRCPTLR2ALDH1A1TSHRHSD17B10
SCHEMBL9044288 0.80 PRCP (0.80) PRCPTLR2
SCHEMBL8602848 0.80 PRCP (0.80) PRCPTLR2
SCHEMBL18631769 0.79 PRCP (0.74) PRCPTLR2
SCHEMBL18631778 0.79 PRCP (0.74) PRCPTLR2
SCHEMBL3231149 0.79 PRCP (0.88) PRCPTLR2
SCHEMBL13708495 0.79 PRCP (0.56) PRCPTLR2TSHRCYP3A4MAPT
SCHEMBL26716600 0.79 PRCP (0.56) PRCPTLR2ALDH1A1CYP3A4CYP2C19
SCHEMBL18412267 0.78 PRCP (0.53) PRCPTLR2
Hydrochloric Acid SCHEMBL29619718 0.77 PRCP (0.52) PRCPTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497273-B1 HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2010-06-09 EP disclosed
US-7589091-B2 2(R)-Benzyloxymethyl-4-[4-(4-chloro-phenyl)-piperazin-1-yl]-N-hydroxy-3(S)-(4-methoxy-phenyl)-4-oxo-butyramide; inhibiting matrix metalloproteinase; immunosuppression; neuropathic pain NOVARTIS AG (CH) 2009-09-15 US disclosed
US-7589091-B2 2(R)-Benzyloxymethyl-4-[4-(4-chloro-phenyl)-piperazin-1-yl]-N-hydroxy-3(S)-(4-methoxy-phenyl)-4-oxo-butyramide; inhibiting matrix metalloproteinase; immunosuppression; neuropathic pain NOVARTIS AG (CH) 2009-09-15 US disclosed