SCHEMBL7825834

SCHEMBL7825834

CCOC(=O)c1ccc(NC(=O)N2CCCC(C(C)N3CCC(Cc4ccc(F)cc4)CC3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.49
CCR3 P51677 4/20 0.49
POLB P06746 1/20 0.48
NPY2R P49146 1/20 0.45
MEN1 O00255 1/20 0.45
CASP3 P42574 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL7829333 0.91 CCR3 (0.56) ALDH1A1MAPTCCR3
SCHEMBL7826515 0.86 CCR3 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7825838 0.84 CCR3 (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7820925 0.83 FAAH (0.59) SMN1; SMN2CCR3MEN1KMT2A
SCHEMBL7821529 0.81 CCR3 (0.66) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7814752 0.81 CCR3 (0.73) ALDH1A1CCR3
SCHEMBL7821726 0.79 CCR3 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7829377 0.78 CCR3 (0.56) CCR3
SCHEMBL7826518 0.76 CCR3 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7822009 0.75 CCR3 (0.75) MAPTCCR3

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