SCHEMBL8418944

SCHEMBL8418944

[CH2]CCCc1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.61
MAOA P21397 2/20 0.61
CYP19A1 P11511 1/20 0.59
SIGMAR1 Q99720 2/20 0.50
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL5329197 0.94 MAOB (0.59) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL7464880 0.92 MAOB (0.57) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL7208354 0.87 MAOB (0.65) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL1026806 0.87 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL29437072 0.87 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL29436975 0.87 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL18045550 0.87 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL30637158 0.85 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL28770903 0.85 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL30211975 0.85 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1CYP3A4

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
CN-1823040-A Diarylmethylidene piperidine derivatives, their preparation and their use ASTRAZENECA AB (SE) 2006-08-23 CN claimed
EP-0939760-A2 1-THIOGALACTOSE DERIVATIVES SYNSORB Biotech Inc. (CA) 1999-09-08 EP claimed
WO-1998021221-A2 1-THIOGALACTOSE DERIVATIVES SYNSORB BIOTECH, INC. (CA) 1998-05-22 WO claimed
CN-1823040-A Diarylmethylidene piperidine derivatives, their preparation and their use ASTRAZENECA AB (SE) 2006-08-23 CN disclosed
US-4166059-A ALKALI-FAST DISAZO DISULFIMIDE DYES CROMPTON & KNOWLES CORPORATION (US) 1979-08-28 US disclosed