SCHEMBL6999044

SCHEMBL6999044

CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3OCc3cc(N)cnc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A15 Q9H2J7 10/20 0.63
HRH1 P35367 9/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
CACNA1F O60840 1/20 0.60
NR1I2 O75469 1/20 0.60
GMNN O75496 1/20 0.60
USP2 O75604 1/20 0.60
ABCB11 O95342 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CHRM2 P08172 1/20 0.60
ABCB1 P08183 1/20 0.60
CYP3A4 P08684 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
ADRB3 P13945 1/20 0.60

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
SCHEMBL6996228 0.90 FNTA (0.67) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL6992437 0.87 SLC6A15 (0.77) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL6992839 0.87 SLC6A15 (0.59) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL12065129 0.82 HRH1 (0.61) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL6993071 0.78 FNTA (0.53) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL13870466 0.77 SLC6A15 (0.62) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL12550607 0.76 SLC6A15 (0.82) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL29380223 0.75 SLC6A15 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL29441811 0.75 SLC6A15 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL4596 0.75 SLC6A15 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021448-B1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORP (US) 2003-05-02 EP disclosed
US-6130229-A Tricyclic compounds having activity as RAS-FPT inhibitors SCHERING CORPORATION (US) 2000-10-10 US disclosed
EP-1021448-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORPORATION (US) 2000-07-26 EP disclosed
WO-1998015556-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORPORATION (US) 1998-04-16 WO disclosed