SCHEMBL7027271

SCHEMBL7027271

Cc1cccc(CN(C)Cc2cccc(C)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR4 P61073 4/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL12060877 0.89 ALDH1A1 (0.53) SMN1; SMN2CYP2D6CYP2C19KMT2AMAOA
SCHEMBL6984577 0.87 IRAK4 (0.47) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL19364109 0.87 GRIN2D (0.44) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL14821397 0.87 CXCR4 (0.44) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL13715938 0.85 HSD17B10 (0.44) CCR1CCR8RAB9ANPC1L3MBTL1
SCHEMBL5024861 0.84 CCR1 (0.46) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL15308535 0.84 KCNH2 (0.41) CCR1CCR8RAB9ANPC1L3MBTL1
SCHEMBL25513930 0.83 CCR1 (0.41) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL13715954 0.81 AOC3 (0.51) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL12088608 0.80 CXCR4 (0.42) CCR1CCR8NOS3NOS2RAB9A

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
US-7488820-B2 Naphthofluorescein-based metal sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-10 US disclosed
US-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed
EP-1341893-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-09-10 EP disclosed
EP-1285055-A1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2003-02-26 EP disclosed
EP-1283861-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2003-02-19 EP disclosed
WO-2002048307-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2002-06-20 WO disclosed
WO-2001092455-A1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2001-12-06 WO disclosed
WO-2001064827-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064828-A1 LAUNDRY BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION UNILEVER PLC (GB) 2001-09-07 WO disclosed