SCHEMBL7979644

SCHEMBL7979644

O=C1c2ccccc2C(=O)N1CCN1CCC(SC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD3 P35462 4/20 0.50
KDM1A O60341 1/20 0.50
ACHE P22303 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
HTR1A P08908 5/20 0.45
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL10382462 0.80 HTR7 (0.56) DRD2DRD3HTR1AHTR7
SCHEMBL7978284 0.78 CARM1 (0.51)
SCHEMBL7978211 0.77 KDM1A (0.59) DRD2DRD3KDM1AACHELMNA
SCHEMBL7966072 0.77 DRD3 (0.56) DRD2DRD3KDM1AACHELMNA
SCHEMBL10382467 0.76 KCNA3 (0.40)
Hydrochloric Acid SCHEMBL9353077 0.76 KDM1A (0.46) KDM1ALMNATP53GAA
SCHEMBL23164620 0.75 HTR1A (0.67) HTR1AMAOB
SCHEMBL12332512 0.75 HTR1A (0.67) HTR1AMAOB
SCHEMBL7976319 0.75 KCNA3 (0.54) DRD2DRD3KDM1AACHE
SCHEMBL31172358 0.75 KDM1A (0.55) DRD3KDM1AACHEHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 EP disclosed