SCHEMBL8665332

SCHEMBL8665332

C=COCCCCN(CCCC)CCCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.34
ACHE P22303 2/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HTR1B P28222 1/20 0.33
KDM5A P29375 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD3 P35462 1/20 0.32
SCN1A P35498 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL8664146 0.98 THRA (0.36) BCHEACHETHRATHRBKDM5A
SCHEMBL8665072 0.92 MAOA (0.37) BCHEACHE
SCHEMBL8660667 0.90 MAOA (0.39) BCHEACHE
SCHEMBL8660270 0.90 MAOA (0.39) BCHEACHE
SCHEMBL36181 0.89 HTR1B (0.37) BCHETHRATHRBHTR1BKDM5A
SCHEMBL8662946 0.85 BCHE (0.33) BCHEACHE
SCHEMBL3071581 0.85 MEN1 (0.45) BCHEACHE
SCHEMBL8663427 0.83 MEN1 (0.44) BCHEACHECYP3A4CYP2D6
SCHEMBL1222465 0.83 MEN1 (0.44) BCHEACHECYP3A4CYP2D6
SCHEMBL8663271 0.83 MEN1 (0.44) BCHEACHECYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458479-B1 Pigment dispersing agent NIPPON OILS & FATS CO LTD (JP) 1998-11-25 EP disclosed
US-5244979-A Paints NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1993-09-14 US disclosed
EP-0458479-A2 Pigment dispersing agent NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-11-27 EP disclosed