SCHEMBL7972807

SCHEMBL7972807

COC(=O)C[N+]1(CCCNC(=O)Nc2cccc(C#N)c2)CCC(Cc2ccccc2)CC1Br

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.60
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
HTR2A P28223 5/20 0.56

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
SCHEMBL6699155 0.86 CCR3 (0.63) CCR3SLC6A2SLC6A4SLC6A3HTR2A
Bromide SCHEMBL6217023 0.85 CCR3 (0.62) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6780550 0.75 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6780545 0.75 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7656814 0.74 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL18840939 0.74 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7656820 0.74 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6215640 0.72 CCR3 (1.00) CCR3HTR2A
SCHEMBL6337473 0.72 CCR3 (0.43) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6337783 0.71 CCR3 (1.00) CCR3HTR2A

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-6331541-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed