SCHEMBL6925933

SCHEMBL6925933

CCCN(CCC)CCOc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 1/20 0.49
CYP19A1 P11511 4/20 0.48
SIGMAR1 Q99720 2/20 0.48
EBP Q15125 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 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
SCHEMBL7416033 0.86 CYP19A1 (0.59) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL4015134 0.85 MAPT (0.53) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL1219905 0.85 CHRNB2 (0.58) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL5704529 0.85 MAPT (0.61) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL3866381 0.84 MAPT (0.45) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL7702894 0.83 MAPT (0.60) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL29375687 0.83 MAPT (0.60) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL6826390 0.82 MAPT (0.58) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL29897285 0.82 MAPT (0.58) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL6927577 0.81 MAPT (0.60) MAPTHPGDSMN1; SMN2NPC1CYP1A2

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 5 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 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