SCHEMBL14223244

SCHEMBL14223244

CCN(CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C)CCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.46
▸ GHSR Q92847 1/20 0.46
▸ CHRNA7 P36544 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL4826753 0.86 CHRNA7 (0.45) KCNH2GHSRCHRNA7KDM4EHSD17B10
SCHEMBL8251025 0.83 CNR2 (0.50) KCNH2GHSRCHRNA7KDM4EHSD17B10
SCHEMBL4818315 0.83 GHSR (0.46) KCNH2GHSRCHRNA7KDM4EHSD17B10
SCHEMBL4825563 0.82 CHRNA7 (0.46) KCNH2GHSRCHRNA7KDM4EHSD17B10
SCHEMBL4822790 0.82 DRD3 (0.41) KCNH2GHSRCHRNA7KDM4EHSD17B10
SCHEMBL4826885 0.82 SMN1; SMN2 (0.48) KCNH2GHSRCHRNA7KDM4EHSD17B10
SCHEMBL4823808 0.81 GHSR (0.47) KCNH2GHSRCHRNA7KDM4EHSD17B10
SCHEMBL4826756 0.81 CHRNA7 (0.47) KCNH2GHSRCHRNA7KDM4EHSD17B10
SCHEMBL4817264 0.81 GHSR (0.46) KCNH2GHSRCHRNA7HSD17B10ALOX15
SCHEMBL4822735 0.81 GHSR (0.47) KCNH2GHSRCHRNA7KDM4EHSD17B10

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
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US disclosed
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