SCHEMBL6925626

SCHEMBL6925626

COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.68
HTR2C P28335 1/20 0.56
FSHR P23945 2/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL30227430 1.00 MCHR1 (0.68) MCHR1HTR2CFSHRALDH1A1SMN1; SMN2
SCHEMBL6899670 0.93 MCHR1 (0.58) MCHR1HTR2CALDH1A1SMN1; SMN2USP2
SCHEMBL6895305 0.91 MCHR1 (0.57) MCHR1HTR2CALDH1A1SMN1; SMN2USP2
SCHEMBL6894847 0.91 MCHR1 (0.69) MCHR1HTR2CALDH1A1SMN1; SMN2USP2
SCHEMBL6893836 0.86 MCHR1 (0.59) MCHR1HTR2C
SCHEMBL6918805 0.84 MCHR1 (0.48) MCHR1HTR2CALDH1A1SMN1; SMN2USP2
SCHEMBL6925669 0.84 MCHR1 (0.93) MCHR1HTR2C
SCHEMBL6894734 0.83 MCHR1 (0.48) MCHR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6898988 0.83 MCHR1 (0.49) MCHR1ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6925485 0.81 MCHR1 (0.68) MCHR1HTR2CALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US 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
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP 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