SCHEMBL8908397

SCHEMBL8908397

Cc1cccc(-c2cccc(CBr)n2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.64
CCR8 P51685 1/20 0.64
METAP2 P50579 1/20 0.46
CYP2A6 P11509 1/20 0.42
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
TGFBR1 P36897 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
KCNH2 Q12809 1/20 0.34
P2RX7 Q99572 1/20 0.34
IDH1 O75874 1/20 0.34
NOS1 P29475 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL30266840 1.00 CCR1 (0.64) CCR1CCR8METAP2CYP2A6NOS2
SCHEMBL29419394 0.87
SCHEMBL5155 0.87
SCHEMBL3167663 0.87 CCR1 (0.48) CCR1CCR8NOS2SMN1; SMN2KCNH2
Bromide SCHEMBL11282133 0.85 CCR1 (0.46) CCR1CCR8NOS2NOS3SMN1; SMN2
SCHEMBL9146011 0.85 CCR1 (0.46) CCR1CCR8NOS2SMN1; SMN2KCNH2
SCHEMBL14732969 0.84 CCR1 (0.64) CCR1CCR8METAP2CYP2A6NOS2
SCHEMBL7952137 0.83 CCR1 (0.70) CCR1CCR8METAP2CYP2A6NOS2
SCHEMBL14085152 0.82 CCR1 (0.67) CCR1CCR8METAP2CYP2A6NOS2
SCHEMBL10894853 0.80 CCR1 (0.64) CCR1CCR8METAP2CYP2A6NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601113-B1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INT (FR) 1997-01-08 EP disclosed
US-5457184-A Medical diagnosis CIS BIO INTERNATIONAL (FR) 1995-10-10 US disclosed
US-5432101-A Complex consists of biologically active molecule associated by coupling or adsorption with the complex COMPAGNIE ORIS INDUSTRIE SA (FR) 1995-07-11 US disclosed
EP-0601113-A1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE. CIS BIO INT (FR) 1994-06-15 EP disclosed
US-5220012-A Macropolycyclic rare earth complexes and application as fluorescent tracers COMPAGNIE ORIS INDUSTRIE SA (FR) 1993-06-15 US disclosed
WO-1993005049-A1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INTERNATIONAL (FR) 1993-03-18 WO disclosed
US-4927923-A IMMUNOLOGY COMPAGNIE ORIS INDUSTRIES (FR) 1990-05-22 US disclosed