SCHEMBL5510068

SCHEMBL5510068

O=C(O)C1CC(CCCc2ccc(F)cc2)CN1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.48
TAAR1 Q96RJ0 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
GRIK1 P39086 2/20 0.40
AGTR2 P50052 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL19432303 0.87 ARG1 (0.51) ARG1GRM2GRM3GRIK1AGTR2
SCHEMBL11239409 0.87 ARG1 (0.51) ARG1GRM2GRM3GRIK1AGTR2
SCHEMBL11239411 0.87 ARG1 (0.51) ARG1GRM2GRM3GRIK1AGTR2
SCHEMBL5516614 0.86 ARG1 (0.48) ARG1GRIK1
SCHEMBL4862877 0.84 ARG1 (0.48) ARG1GRIK1
SCHEMBL11248416 0.83 ARG1 (0.45) ARG1GRIK1NPC1
SCHEMBL31524208 0.83 HRH3 (0.55) ARG1TAAR1HRH3GRIK1
SCHEMBL31080928 0.83 HRH3 (0.55) ARG1TAAR1HRH3GRIK1
SCHEMBL11234759 0.83 HRH3 (0.55) ARG1TAAR1HRH3GRIK1
SCHEMBL31080931 0.83 HRH3 (0.55) ARG1TAAR1HRH3GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US claimed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-7164011-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-01-16 US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed