SCHEMBL28877645

SCHEMBL28877645

O=C1OCCN1C(=O)C(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.50
FAAH O00519 10/20 0.50
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL8472458 0.72 PIK3CD (0.42) NAAAFAAHSMN1; SMN2
SCHEMBL8324037 0.71 NAAA (0.74) NAAAFAAH
SCHEMBL16337701 0.71 NAAA (0.83) NAAAFAAH
SCHEMBL7269558 0.69 NAAA (0.81) NAAAFAAH
SCHEMBL8319620 0.69 NAAA (0.46) NAAAFAAH
SCHEMBL7599986 0.68 PIK3CD (0.44) NAAAFAAHSMN1; SMN2
SCHEMBL11647947 0.68 CYP2C9 (0.57) NAAAFAAHSMN1; SMN2
SCHEMBL9378454 0.68 NAAA (0.60) NAAAFAAHSMN1; SMN2
SCHEMBL18654084 0.68 NAAA (0.56) NAAAFAAH
SCHEMBL16661772 0.68 NAAA (0.56) NAAAFAAH

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
CN-107074788-B Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2019-09-20 CN disclosed