SCHEMBL6981178

SCHEMBL6981178

CC1CC(c2ccc(F)cc2)CCN1CC(O)C(N)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.38
HTR1A P08908 1/20 0.38
SLC18A3 Q16572 2/20 0.38
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 2/20 0.37
CSNK1E P49674 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7503853 0.81 ADORA3 (0.47)
SCHEMBL496637 0.78 L3MBTL1 (0.49) SLC6A4SLC6A3SLC6A2
SCHEMBL496636 0.78 L3MBTL1 (0.49) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL495749 0.78 L3MBTL1 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL7503567 0.74 HRH3 (0.41)
SCHEMBL496223 0.74 SLC18A3 (0.60) SLC18A3KCNH2
SCHEMBL7388298 0.73 CYP3A4 (0.41) HTR1ASLC18A3SLC6A3SLC6A2KCNH2
Hydrochloric Acid SCHEMBL496080 0.73 SLC18A3 (0.58) SLC18A3KCNH2
SCHEMBL496299 0.73 SLC18A3 (0.52) SLC18A3CSNK1E
SCHEMBL496300 0.73 SLC18A3 (0.52) SLC18A3CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294690-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-03-26 EP disclosed
EP-1158980-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP disclosed
EP-1140087-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP disclosed
WO-2001098270-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
EP-1158980-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-12-05 EP disclosed
EP-1140087-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035453-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed
WO-2000035454-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed