SCHEMBL6773025

SCHEMBL6773025

N#Cc1cccc(C(=O)NCC[C@@H]2C[C@@H](Cc3ccccc3)CCN2)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.74
SLC6A4 P31645 4/20 0.66
SLC6A2 P23975 3/20 0.66
SLC6A3 Q01959 3/20 0.66
ROCK2 O75116 3/20 0.50
PKN2 Q16513 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
NAMPT P43490 1/20 0.46
CHRM4 P08173 1/20 0.44
GAA P10253 1/20 0.44
HTR2A P28223 1/20 0.44
CCR5 P51681 1/20 0.43

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
SCHEMBL6774961 0.94 CCR3 (0.75) CCR3SLC6A4SLC6A2SLC6A3ROCK2
SCHEMBL6774966 0.94 CCR3 (0.75) CCR3SLC6A4SLC6A2SLC6A3ROCK2
SCHEMBL18840912 0.85 CCR3 (1.00) CCR3SLC6A4SLC6A2SLC6A3ROCK2
SCHEMBL7657805 0.85 CCR3 (1.00) CCR3SLC6A4SLC6A2SLC6A3ROCK2
SCHEMBL7657809 0.85 CCR3 (1.00) CCR3SLC6A4SLC6A2SLC6A3ROCK2
SCHEMBL6774752 0.81 CCR3 (0.68) CCR3SLC6A4SLC6A2SLC6A3
SCHEMBL6774750 0.81 CCR3 (0.68) CCR3SLC6A4SLC6A2SLC6A3
SCHEMBL6780550 0.80 CCR3 (1.00) CCR3SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6780545 0.80 CCR3 (1.00) CCR3SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL7656814 0.79 CCR3 (1.00) CCR3SLC6A4SLC6A2SLC6A3HTR2A

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-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