SCHEMBL5161690

SCHEMBL5161690

CSc1ccc(C2(C#N)CCCOC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
OPRM1 P35372 3/20 0.34
MEN1 O00255 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL3272500 0.81 OPRM1 (0.41) SLC6A4SLC6A3OPRM1
SCHEMBL1625474 0.80 OPRM1 (0.49) SLC6A4SLC6A3OPRM1MEN1NPC1
SCHEMBL19331078 0.80 WDR5 (0.38) OPRM1MEN1NPC1RAB9AKMT2A
SCHEMBL11711562 0.80 OPRM1 (0.43) OPRM1MEN1NPC1RAB9AKMT2A
SCHEMBL21874212 0.79 ALDH1A1 (0.50) SLC6A4SLC6A3OPRM1MEN1NPC1
SCHEMBL10317539 0.79 OPRM1 (0.46) SLC6A4SLC6A3OPRM1
SCHEMBL25933959 0.73 OPRM1 (0.53) OPRM1ALDH1A1LMNA
SCHEMBL21964253 0.72 OPRM1 (0.41) SLC6A4SLC6A3OPRM1POLB
SCHEMBL19330985 0.70 WDR5 (0.36) OPRM1
SCHEMBL14893610 0.70 OPRM1 (0.35) OPRM1ALDH1A1

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-1747210-A1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS Warner-Lambert Company LLC (US) 2007-01-31 EP disclosed
WO-2005108384-A1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 WO disclosed