SCHEMBL3405795

SCHEMBL3405795

CCN1CCc2nc(N(C)C3CCN(C4CCC4)CC3)ccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3372589 0.78 HRH3 (0.43)
SCHEMBL3399689 0.76 HRH3 (0.43) GRM5
SCHEMBL3402918 0.75 HRH3 (0.42) GRM5
SCHEMBL3370842 0.74 HRH3 (0.41)
SCHEMBL3400879 0.74 HRH3 (0.41)
SCHEMBL3370584 0.72 HRH3 (0.41) GRM5
SCHEMBL3398980 0.72 HRH3 (0.41) GRM5
SCHEMBL3372205 0.72 HRH3 (0.39)
SCHEMBL3399816 0.71 HRH3 (0.43)
SCHEMBL3368822 0.69 HTR1A (0.39)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO claimed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed