SCHEMBL7825838

SCHEMBL7825838

CCOC(=O)c1ccc(NC(=O)N2CCCC(CCN3CCC(Cc4ccc(F)cc4)CC3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.68
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL7829336 0.90 CCR3 (0.76) CCR3MAPT
SCHEMBL7829620 0.89 CCR3 (0.75) CCR3RAB9APOLBLMNA
SCHEMBL7821529 0.88 CCR3 (0.66) CCR3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7826518 0.87 CCR3 (0.58) CCR3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7814917 0.85 CCR3 (0.77) CCR3
SCHEMBL7821497 0.84 CCR3 (0.57) CCR3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7825834 0.84 RAB9A (0.51) CCR3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7822009 0.83 CCR3 (0.75) CCR3MAPT
SCHEMBL7821726 0.82 CCR3 (0.69) CCR3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7826536 0.81 CCR3 (0.75) CCR3RAB9APOLBLMNA

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-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed