SCHEMBL6774786

SCHEMBL6774786

O=C(NCCCC1CC(Cc2ccccc2)CCN1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.88
SLC6A2 P23975 5/20 0.88
SLC6A4 P31645 5/20 0.88
SLC6A3 Q01959 5/20 0.88

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
SCHEMBL7656368 0.94 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7656364 0.94 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL18844417 0.94 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7663519 0.91 CCR3 (0.95) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7663513 0.91 CCR3 (0.95) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7669574 0.90 CCR3 (0.80) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7669580 0.90 CCR3 (0.80) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6768388 0.89 CCR3 (0.85) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6771656 0.89 CCR3 (0.79) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6768391 0.89 CCR3 (0.85) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140833-A1 2-SUBSTITUTED-4-NITROGEN HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035876-A1 2-SUBSTITUTED-4-NITROGEN HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO 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
EP-1140833-A1 2-SUBSTITUTED-4-NITROGEN HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035876-A1 2-SUBSTITUTED-4-NITROGEN HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed