SCHEMBL4768321

SCHEMBL4768321

CC(C)CC(NC(=O)c1cnc2ccccc2c1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.42
CTSK P43235 10/20 0.41
CTSL P07711 8/20 0.41
CTSS P25774 8/20 0.41
CTSB P07858 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
CTSV O60911 2/20 0.39
CCKBR P32239 1/20 0.38

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
SCHEMBL4823843 0.93 TAS1R3 (0.49) CCR1CTSKCTSLCTSSCTSB
SCHEMBL4765041 0.91 CTSK (0.43) CTSKCTSLCTSSCTSBTAS1R3
SCHEMBL4763062 0.89 GRN (0.47) CCR1CTSKCTSLCTSSCTSB
SCHEMBL4765600 0.87 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770472 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7431508 0.87 MC4R (0.43) CCR1CTSKCTSLCTSSCTSB
SCHEMBL4762204 0.86 CTSK (0.45) CCR1CTSKCTSLCTSSCTSB
SCHEMBL4766629 0.85 CTSK (0.46) CCR1CTSKCTSLCTSSCTSB
SCHEMBL4830428 0.85 CTSK (0.46) CTSKCTSLCTSSCTSBTAS1R3
SCHEMBL4821292 0.85 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV

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
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed