SCHEMBL15520098

SCHEMBL15520098

CCN(CCn1cccn1)C(=O)c1cc(F)ccc1-c1ncccn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.47
HCRTR1 O43613 10/20 0.47
HCRTR2 O43614 10/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.42

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
SCHEMBL15327006 0.84 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL15326988 0.83 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL15327026 0.81 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL9977817 0.80 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL9977759 0.79 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL9977847 0.77 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL9977836 0.77 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL9977839 0.77 HCRTR1 (0.75) HCRTR1HCRTR2
SCHEMBL15520198 0.77 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL15521943 0.76 HCRTR1 (0.48) HCRTR1HCRTR2

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-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 EP disclosed