SCHEMBL10586017

SCHEMBL10586017

[CH]1CCCCC1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.50
HPGD P15428 2/20 0.47
EPHX1 P07099 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11346993 0.81 TAAR1 (0.59) GRIN2BEPHX1RAB9AMEN1KMT2A
SCHEMBL433970 0.79 GRIN2B (0.69) GRIN2BHPGDEPHX1BCHEACHE
SCHEMBL8926256 0.77 GRIN2B (0.49) GRIN2BHPGDEPHX1BCHEACHE
SCHEMBL294763 0.77 HRH3 (0.71) GRIN2BHPGDEPHX1BCHEACHE
Hydrochloric Acid SCHEMBL11785266 0.77 GRIN2B (0.67) GRIN2BHPGDEPHX1BCHEACHE
SCHEMBL24574127 0.77 HRH3 (0.71) GRIN2BHPGDEPHX1BCHEACHE
SCHEMBL1847296 0.77 HRH3 (0.71) GRIN2BHPGDEPHX1BCHEACHE
SCHEMBL10789534 0.77 HRH3 (0.71) GRIN2BHPGDEPHX1BCHEACHE
Hydrochloric Acid SCHEMBL11782513 0.76 HRH3 (0.69) GRIN2BHPGDEPHX1BCHEACHE
Hydrochloric Acid SCHEMBL11781778 0.76 HRH3 (0.69) GRIN2BHPGDEPHX1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315996-A2 Optically active compound, process for producing same and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed