SCHEMBL7141868

SCHEMBL7141868

O=C([C@@H]1C[C@@H](S)CN1C(=O)OCc1ccccc1)N(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.41
HTR2C P28335 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
OPRM1 P35372 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTRB1 P17538 1/20 0.37
KCNH2 Q12809 1/20 0.37
PREP P48147 2/20 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
SCHEMBL7143079 0.81 CPT2 (0.47) HTR2CPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6202628 0.75 HTR2A (0.51) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7143386 0.75 POLB (0.41) HTR2CPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL7141674 0.74 POLB (0.38) OPRM1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL7149001 0.73 POLB (0.41) HTR2CPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3811903 0.72 DCUN1D1 (0.58) DCUN1D1SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL20315235 0.72 PSEN1 (0.45) HTR2CPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL7143693 0.72 SMN1; SMN2 (0.45) HTR2CPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL4198203 0.71 OPRM1 (0.62) DCUN1D1SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL7138322 0.71 POLB (0.42) HTR2CPOLBNPC1RAB9ASMN1; 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 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