SCHEMBL8944700

SCHEMBL8944700

NCCNC(=O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.51
FAAH O00519 1/20 0.51

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
Hydrochloric Acid SCHEMBL320870 0.98 TAAR1 (0.53) TAAR1NPC1RAB9AGAAHSD17B10
SCHEMBL13055389 0.88 TAAR1 (0.60) TAAR1NPC1RAB9AGAAHSD17B10
SCHEMBL5502496 0.88
SCHEMBL25394246 0.86
SCHEMBL1890875 0.85 TAAR1 (0.54) TAAR1NPC1RAB9AGAAHSD17B10
SCHEMBL18389610 0.85
SCHEMBL21925516 0.85 HSD17B10 (0.54) TAAR1NPC1RAB9AGAAHSD17B10
SCHEMBL9276339 0.85 TAAR1 (0.57) TAAR1NPC1RAB9AGAA
SCHEMBL21891729 0.83
SCHEMBL989310 0.83

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-109975903-A A kind of reflectance coating and a kind of back light for liquid crystal display device 宁波长阳科技股份有限公司 2019-07-05 CN disclosed
EP-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP disclosed