SCHEMBL12707249

SCHEMBL12707249

Cc1ccnc2c1C=CC(C)C2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 2/20 0.31
NOS2 P35228 2/20 0.31

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
SCHEMBL18869349 0.78
SCHEMBL19339183 0.69
SCHEMBL12546731 0.69 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL19848976 0.69 DRD2 (0.35)
SCHEMBL20420239 0.68 LIMK1 (0.35)
SCHEMBL20417815 0.67 CCR1 (0.33) CCR1CCR5CCR8NOS3NOS2
SCHEMBL23992614 0.67 NOS3 (0.41) NOS3NOS2
SCHEMBL23992750 0.64 KDM4E (0.32)
SCHEMBL10082116 0.63 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL19288714 0.62 CYP1A2 (0.35)

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
EP-2314713-A1 OLIGONUCLEOTIDE PROBE, AND USE THEREOF National University Corporation Nagoya University (JP) 2011-04-27 EP disclosed