Sugi Predict

Sugi Predict / Compounds / SCHEMBL3402822

SCHEMBL3402822

SCHEMBL3402822

O=C1c2ccc(OC3CCN(C4CCC4)CC3)nc2CCN1CC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.46
▸ HRH3 Q9Y5N1 13/20 0.41
▸ KCNH2 Q12809 4/20 0.40
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37

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
SCHEMBL3399853 0.96 GRM5 (0.45) GRM5HRH3KCNH2GABRG2GABRB3
SCHEMBL3372715 0.92 GRM5 (0.42) GRM5HRH3KCNH2GABRG2GABRB3
SCHEMBL3402918 0.88 HRH3 (0.42) GRM5HRH3KCNH2
SCHEMBL3399689 0.87 HRH3 (0.43) GRM5HRH3KCNH2
SCHEMBL3372589 0.87 HRH3 (0.43) HRH3KCNH2
SCHEMBL3400944 0.85 HRH3 (0.42) HRH3KCNH2
SCHEMBL3401992 0.84 HRH3 (0.41) HRH3KCNH2
SCHEMBL3402070 0.83 HRH3 (0.41) GRM5HRH3KCNH2
SCHEMBL3399192 0.83 HRH3 (0.43) GRM5HRH3KCNH2
SCHEMBL3406525 0.82 HRH3 (0.40) HRH3KCNH2

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