SCHEMBL4778748

SCHEMBL4778748

[c]1occc1CN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
HRH4 Q9H3N8 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
ACHE P22303 1/20 0.37
RAD52 P43351 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
SCHEMBL2927234 0.98 HRH3 (0.43) HRH3HRH4ALDH1A1KDM4EL3MBTL1
SCHEMBL4780502 0.83 HRH3 (0.47) HRH3ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL7678459 0.81 MC4R (0.46) HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3302046 0.67 CHKA (0.32) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL10680312 0.67 HRH3 (0.48) HRH3HRH4ALDH1A1KDM4EL3MBTL1
SCHEMBL3651286 0.67
SCHEMBL844842 0.65 HRH3 (0.47) HRH3HRH4ALDH1A1KDM4EL3MBTL1
SCHEMBL4277270 0.65 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4EL3MBTL1
SCHEMBL11329325 0.64 ALDH1A1 (0.62) HRH3HRH4ALDH1A1KDM4EL3MBTL1
SCHEMBL1854026 0.63 CYP2C19 (0.46) HRH3HRH4ALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214823-A2 Alkylamide derivatives with H2-receptor antagonistic and cytoprotective action FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1987-03-18 EP claimed
JP-62153279-A None JP disclosed
WO-2008001134-A1 1,2,3,8,9,9A-HEXAHYDRO-7H-BENZO(DE)-1,7-NAPHTHYRIDIN-7-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-01-03 WO disclosed
US-4837316-A ANTIULCER AGENTS FUJIREBIO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
JP-S62153279-A SUBSTITUTED PHENOXYPROPYLAMIDE DERIVATIVE AND PRODUCTION THEREOF FUJIREBIO INC 1987-07-08 JP disclosed
EP-0214823-A2 Alkylamide derivatives with H2-receptor antagonistic and cytoprotective action FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1987-03-18 EP disclosed