SCHEMBL5727407

SCHEMBL5727407

[c]1c(-c2ccccc2SCc2ccccc2)ccc2[nH]nnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
RAB9A P51151 9/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
DAO P14920 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.34
NPC1 O15118 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPT P10636 3/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARG P37231 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL2476662 0.67 POLB (0.49) POLBRAB9AL3MBTL1DAOSMN1; SMN2
SCHEMBL1130573 0.66 IDO1 (0.47) RAB9ANPC1ALDH1A1TP53HPGD
SCHEMBL6777717 0.65 POLB (0.59) POLBRAB9AL3MBTL1SMN1; SMN2NPC1
SCHEMBL6045301 0.65 ALDH1A1 (0.43) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6402819 0.65 POLB (0.42) POLBRAB9AL3MBTL1DAOSMN1; SMN2
SCHEMBL14358953 0.65
SCHEMBL6026792 0.63 POLB (0.41) POLBRAB9ASMN1; SMN2NPC1HTT
SCHEMBL6863661 0.62 ALDH1A1 (0.35) POLBRAB9AL3MBTL1DAOSMN1; SMN2
SCHEMBL8631968 0.62 POLB (0.42) POLBRAB9AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5320905 0.62 NPC1 (0.50) POLBRAB9AL3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP disclosed
EP-1615643-A1 4-PHENYL-PIPERIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF OPIOID RECEPTORS Pfizer Products Inc. (US) 2006-01-18 EP disclosed
WO-2004089370-A1 4-PHENYL-PIPERIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF OPIOID RECEPTORS PFIZER PRODUCTS INC. (US) 2004-10-21 WO disclosed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 WO disclosed