SCHEMBL6773432

SCHEMBL6773432

CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(=O)[C@H](C)N)cc(C(C)=O)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.82
SLC6A2 P23975 18/20 0.82
SLC6A4 P31645 18/20 0.82
SLC6A3 Q01959 18/20 0.82
CYP2D6 P10635 1/20 0.59

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
SCHEMBL7660526 1.00 CCR3 (0.82) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7662477 0.94 CCR3 (0.84) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6780897 0.90 CCR3 (0.88) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6773441 0.90 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6774223 0.89 CCR3 (0.86) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6773087 0.89 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7663873 0.88 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6770360 0.88 CCR3 (0.86) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL18844267 0.86 CCR3 (0.95) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7666626 0.85 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3CYP2D6

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 3 patents. 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
US-6706735-B2 NITROGEN COMPOUNDS SUCH AS N-(3-(4-BENZYL-2-PIPERIDINYL)PROPYL )-N'-(3-CYANOPHENYL)UREA, USED AS CHEMOTACTIC CYTOKINE CONTROLLERS ADMINISTERED FOR PROPHYLAXIS OF ASTHMA, ALLERGIES AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
US-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 US disclosed