SCHEMBL13483666

SCHEMBL13483666

Cc1ccc(-c2cc(-c3ccc(C)cn3)cc(-c3ccc(C)cn3)c2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.71
CCR5 P51681 2/20 0.71
CCR8 P51685 2/20 0.71
HDAC6 Q9UBN7 1/20 0.71
CYP3A4 P08684 2/20 0.59
CYP2A6 P11509 1/20 0.59
METAP2 P50579 1/20 0.50
GRM5 P41594 2/20 0.47
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
PIM1 P11309 1/20 0.43
PTGS2 P35354 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM1A O60341 1/20 0.42
GRIA2 P42262 1/20 0.41
MET P08581 1/20 0.40
P2RX3 P56373 2/20 0.39
P2RX2 Q9UBL9 2/20 0.39
CYP11B1 P15538 1/20 0.39

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
SCHEMBL15158530 0.91 CCR1 (0.65) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL503090 0.89 CYP3A4 (0.63) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL12846431 0.89 CCR1 (0.62) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL17051514 0.87 CCR1 (0.75) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL23339297 0.87 CCR1 (0.60) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL12128014 0.87 CCR1 (0.60) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL15029845 0.86 CYP2A6 (0.56) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL2477927 0.85 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL6068227 0.85 CCR1 (0.58) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL19243067 0.85 CCR1 (0.58) CCR1CCR5CCR8HDAC6CYP3A4

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
US-8981354-B2 Organic light-emitting polymer and device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-03-17 US disclosed
US-8981354-B2 Organic light-emitting polymer and device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-03-17 US disclosed
US-20130146852-A1 ORGANIC LIGHT-EMITTING POLYMER AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed
US-8337999-B2 Organic electroluminescent device including at least one layer containing an indole derivative UDC IRELAND LIMITED (IE) 2012-12-25 US disclosed
US-20100026174-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed