SCHEMBL7548174

SCHEMBL7548174

CCCn1nc(Cc2ccc(F)cc2)cc1C1CCNCC1.Cn1nc(Cc2ccc(F)cc2)cc1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAT P00750 5/20 0.40
PRCP P42785 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 4/20 0.37
CCR5 P51681 4/20 0.37
HTR1A P08908 2/20 0.37
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL5763292 0.96 PLAT (0.42) PLATPRCPHTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7660201 0.94 PLAT (0.42) PLATPRCPHTR2CSLC6A2SLC6A4
SCHEMBL5763782 0.92 PLAT (0.44) PLATPRCPHTR2CSLC6A2SLC6A4
SCHEMBL7548170 0.88 CCR5 (0.41) PRCPCCR5
SCHEMBL5461506 0.86 CCR5 (0.46) PLATPRCPHTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5764395 0.85 CCR5 (0.45) PLATPRCPHTR2CSLC6A2SLC6A4
SCHEMBL5764492 0.84 CCR5 (0.47) PLATPRCPHTR2CCCR5
SCHEMBL5764913 0.84 PLAT (0.38) PLATCCR5
Hydrochloric Acid SCHEMBL5762051 0.83 CCR5 (0.47) PLATHTR2CCCR5
SCHEMBL5761444 0.81 HTR6 (0.42) PLATCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed