SCHEMBL7635206

SCHEMBL7635206

Cc1nc2c(ccc3c(C)ccnc32)c(C)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.67
CCR8 P51685 5/20 0.67
CCR5 P51681 4/20 0.67
L3MBTL1 Q9Y468 4/20 0.56
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PSMD14 O00487 2/20 0.44
COPS5 Q92905 2/20 0.44
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC6A2 P23975 1/20 0.37
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10884002 0.82 SMN1; SMN2 (0.50) CCR1CCR8CCR5L3MBTL1NPC1
SCHEMBL29563986 0.82 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1NPC1
SCHEMBL31290662 0.82 SMN1; SMN2 (0.50) CCR1CCR8CCR5L3MBTL1NPC1
SCHEMBL182930 0.82 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1NPC1
SCHEMBL23777914 0.80 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1NPC1
SCHEMBL6744043 0.80 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1NPC1
SCHEMBL30603076 0.80 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1NPC1
Water SCHEMBL23927104 0.80 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1NPC1
SCHEMBL4890980 0.80 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1NPC1
SCHEMBL31493927 0.80 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355597-B1 SYSTEM COMPRISING EFFECTIVE AMOUNT OF PALLADIUM SOURCE AND CATALYTIC AMOUNT OF INORGANIC CO-CATALYST COMPRISING BISMUTH, CAPABLE OF INCREASING YIELD OF OR SELECTIVITY TO AROMATIC CARBONATE IN CARBONYLATION OF AROMATIC HYDROXY COMPOUND GENERAL ELECTRIC COMPANY 2002-03-12 US disclosed