SCHEMBL8778016

SCHEMBL8778016

c1ccc(CNC2CCCCCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
RECQL P46063 1/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
KDM1A O60341 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
CXCR4 P61073 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
USP2 O75604 1/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5863593 1.00 HPGD (0.55) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL14862724 0.98 MAOA (0.54) HPGDRECQLMAOAMAOBKDM1A
Methyl Alcohol SCHEMBL28270513 0.97 HPGD (0.56) HPGDRECQLMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL16464069 0.97 MAOA (0.53) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL31706160 0.95 MAOA (0.54) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL662711 0.91 MAOA (0.57) HPGDRECQLMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL4799055 0.89 MAOA (0.55) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL13280435 0.88 MAOA (0.55) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL13276199 0.84 MAOA (0.62) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL15456460 0.84 MAOA (0.62) HPGDRECQLMAOAMAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529289-B1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX VERSALIS SPA (IT) 2020-12-02 EP disclosed
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed