SCHEMBL7814752

SCHEMBL7814752

COc1cccc(NC(=O)N2CCCC(C(C)N3CCC(Cc4ccc(F)cc4)CC3)C2)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 19/20 0.73
ALDH1A1 P00352 1/20 0.63
HTR2A P28223 1/20 0.55

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
SCHEMBL7829377 0.87 CCR3 (0.56) CCR3HTR2A
SCHEMBL7829333 0.87 CCR3 (0.56) CCR3ALDH1A1HTR2A
SCHEMBL7820925 0.83 FAAH (0.59) CCR3
SCHEMBL7814754 0.83 CCR3 (1.00) CCR3ALDH1A1HTR2A
SCHEMBL7815113 0.83 CCR3 (0.71) CCR3HTR2A
SCHEMBL7820512 0.83 CCR3 (0.62) CCR3ALDH1A1HTR2A
SCHEMBL7825834 0.81 RAB9A (0.51) CCR3ALDH1A1
SCHEMBL7825111 0.81 CCR3 (1.00) CCR3ALDH1A1HTR2A
SCHEMBL5360701 0.79 CCR3 (1.00) CCR3ALDH1A1HTR2A
SCHEMBL7814167 0.79 CCR3 (1.00) CCR3ALDH1A1HTR2A

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