SCHEMBL7143386

SCHEMBL7143386

O=C([C@@H]1C[C@@H](S)CN1C(=O)OCc1ccccc1)N(CO)CCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HTR2C P28335 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTRB1 P17538 1/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL9120836 0.82 TDP1 (0.39) NPC1RAB9A
SCHEMBL7143079 0.81 CPT2 (0.47) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL18498477 0.80 POLB (0.40) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL21807985 0.80 POLB (0.40) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL7141674 0.78 POLB (0.38) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL7149001 0.77 POLB (0.41) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL9044938 0.76 POLB (0.39) POLBNPC1SMN1; SMN2
SCHEMBL20315235 0.76 PSEN1 (0.45) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL26477628 0.76 PREP (0.57) CTRB1PREP
SCHEMBL7142747 0.75 POLB (0.41) POLBHTR2CCTRB1PREP

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
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed