SCHEMBL6926037

SCHEMBL6926037

CCN(CC)CCOc1ccccc1NC(=O)c1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
KDR P35968 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
MCHR1 Q99705 3/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AHR P35869 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6922557 0.89 KDR (0.50) TSHRLMNAKDRSMN1; SMN2NPC1
SCHEMBL6925417 0.88 GAA (0.58) LMNASMN1; SMN2NPC1RAB9AGAA
SCHEMBL3500701 0.88 GAA (0.60) TSHRLMNANPC1RAB9AGAA
SCHEMBL6922307 0.87 MCHR1 (0.54) TSHRSMN1; SMN2NPC1RAB9AGAA
SCHEMBL10144734 0.86 AKR1C2 (0.59) TSHRLMNASMN1; SMN2NPC1RAB9A
SCHEMBL7051105 0.86 MEN1 (0.58) TSHRKDRNPC1RAB9AMCHR1
SCHEMBL6923947 0.81 MCHR1 (0.66) TSHRLMNAKDRMCHR1POLB
SCHEMBL6921757 0.81 KDR (0.73) TSHRLMNAKDRSMN1; SMN2NPC1
SCHEMBL6926348 0.81 GAA (0.57) TSHRLMNANPC1RAB9AGAA
SCHEMBL6898504 0.80 GAA (0.56) TSHRLMNANPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US claimed
JP-2002511879-A 2002-04-16 JP claimed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP claimed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP claimed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO claimed
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 WO disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed