SCHEMBL7662469

SCHEMBL7662469

CCCN1CCC(Cc2ccccc2)CC1CCCNC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.69
HTR2A P28223 4/20 0.69
SLC6A2 P23975 4/20 0.68
SLC6A4 P31645 4/20 0.68
SLC6A3 Q01959 4/20 0.68

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
SCHEMBL7662474 1.00 CCR3 (0.69) CCR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6774697 0.93 CCR3 (0.79) CCR3HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL7667508 0.88 CCR3 (0.89) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7667502 0.88 CCR3 (0.89) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6215640 0.82 CCR3 (1.00) CCR3HTR2A
SCHEMBL6337783 0.81 CCR3 (1.00) CCR3HTR2A
SCHEMBL7658995 0.81 CCR3 (0.86) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7659000 0.81 CCR3 (0.86) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7662140 0.81 CCR3 (0.83) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7662133 0.81 CCR3 (0.83) CCR3SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 US claimed