SCHEMBL3638459

SCHEMBL3638459

CC(O)CN1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
PRKAA2 P54646 2/20 0.51
SIGMAR1 Q99720 12/20 0.50
MCHR1 Q99705 1/20 0.48

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
SCHEMBL3637147 0.83 L3MBTL1 (0.57) OGAL3MBTL1PRKAA2SIGMAR1MCHR1
SCHEMBL3638457 0.82 OGA (0.59) OGAL3MBTL1PRKAA2SIGMAR1MCHR1
SCHEMBL3643385 0.82 L3MBTL1 (0.56) OGAL3MBTL1PRKAA2SIGMAR1MCHR1
SCHEMBL7105933 0.82 LMNA (0.63) OGAPRKAA2SIGMAR1
SCHEMBL4209328 0.81 OGA (0.58) OGAL3MBTL1PRKAA2SIGMAR1MCHR1
Hydrochloric Acid SCHEMBL4209320 0.81 L3MBTL1 (0.55) OGAL3MBTL1PRKAA2SIGMAR1MCHR1
SCHEMBL3641995 0.79 CCR5 (0.67) SIGMAR1
SCHEMBL7873764 0.78 NPC1 (0.68)
SCHEMBL18648120 0.78 NPC1 (0.68)
SCHEMBL13929160 0.77 OGA (0.56) OGASIGMAR1

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-2173715-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY Euroscreen S.A. (BE) 2010-04-14 EP disclosed
WO-2009010478-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed