SCHEMBL6929529

SCHEMBL6929529

CN(C)CCOc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.65
CACNA1H O95180 3/20 0.61
CACNA1B Q00975 2/20 0.61
GAA P10253 2/20 0.57
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HTR7 P34969 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL6924993 0.94 CACNA1H (0.70) MCHR1CACNA1HCACNA1BGAAALDH1A1
SCHEMBL6926500 0.87 MCHR1 (0.69) MCHR1CACNA1HCACNA1BGAA
SCHEMBL6924996 0.81 GAA (0.51) MCHR1CACNA1HCACNA1BGAAALDH1A1
SCHEMBL16119541 0.81 EPHX1 (0.56) CACNA1HCACNA1BALDH1A1KDM4EKMT2A
SCHEMBL6927664 0.80 MCHR1 (0.61) MCHR1CACNA1HCACNA1BGAAALDH1A1
SCHEMBL6921976 0.80 MCHR1 (0.77) MCHR1CACNA1HCACNA1BALDH1A1KDM4E
SCHEMBL6920369 0.80 MCHR1 (0.68) MCHR1SMN1; SMN2KMT2A
SCHEMBL5183311 0.80 GAA (0.66) CACNA1HCACNA1BGAAALDH1A1SMN1; SMN2
SCHEMBL3500701 0.80 GAA (0.60) MCHR1CACNA1HCACNA1BGAAALDH1A1
SCHEMBL6928640 0.79 MCHR1 (0.92) MCHR1ALDH1A1KDM4EHTR7KMT2A

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