SCHEMBL8744002

SCHEMBL8744002

Cc1ccc(N=C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
HTR3B O95264 1/20 0.37
PLAU P00749 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36

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
SCHEMBL8922666 0.77 MAPT (0.44) NPC1RAB9ASMN1; SMN2TDP1MAPT
SCHEMBL8744025 0.77 KDM4E (0.46) NPC1RAB9AMAOAMAOBSLC22A2
SCHEMBL3921739 0.77 TSHR (0.40) SLC22A2TDP1ALDH1A1TSHRCASP1
SCHEMBL11690323 0.77 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2HPGDMAOA
SCHEMBL8744066 0.77 S100B (0.39) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL8743958 0.77 ALDH1A1 (0.49) SMN1; SMN2HPGDMAOAMAOBHTR3E
SCHEMBL8743938 0.77 MAOB (0.41) NPC1RAB9ASMN1; SMN2HPGDMAOA
SCHEMBL570653 0.76 MEN1 (0.41) NPC1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL8743913 0.75 HPGD (0.34) NPC1RAB9ASMN1; SMN2HPGDHTR3E
SCHEMBL8743975 0.75 HTR3E (0.44) NPC1RAB9ASMN1; SMN2HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618980-A DEHYDROGENATING N-CYCLOHEXYLIDENEAMINO COMPOUND IN PRESENCE OF HYDROGEN TRANSFER CATALYST AND HYDROGEN ACCEPTOR AND ALKALI OR ALKALINE EARTH METAL COMPOUND COCATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-04-08 US disclosed
EP-0588060-B1 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0753505-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-01-15 EP disclosed
US-5536878-A HYDROGEN ACCEPTOR MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5382690-A Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-17 US disclosed
EP-0588060-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-23 EP disclosed
US-4281195-A Process for the preparation of Schiff's bases by the reaction of aromatic amines with ketones BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
EP-0014264-A1 Process for the production of Schiff bases by reaction of aromatic amines with aliphatic ketones in the presence of catalysts BAYER AG (DE) 1980-08-20 EP disclosed