SCHEMBL25306017

SCHEMBL25306017

[CH2]N1COc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.39
HSD17B3 P37058 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.32
NOTUM Q6P988 1/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 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
SCHEMBL3074962 0.78 OXTR (0.42) OXTRHSD17B3MAOAMAOBABCG2
SCHEMBL1373794 0.77 KMT2A (0.46) MAOAMAOBMEN1GAAKMT2A
SCHEMBL22192876 0.76 ITGB2 (0.38) OXTRHSD17B3MAOAMAOBABCG2
SCHEMBL15284926 0.75 OXTR (0.39) OXTRHSD17B3MAOAMAOBABCG2
SCHEMBL94770 0.75 MAPT (0.50) OXTRHSD17B3MAOAMAOBABCG2
SCHEMBL20932611 0.73 MEN1 (0.47) OXTRHSD17B3MAOAMAOBMEN1
SCHEMBL20932615 0.73 OXTR (0.38) OXTRHSD17B3MAOAMAOBABCG2
SCHEMBL94736 0.73 CYP1A2 (0.40) OXTRHSD17B3MAOAMAOBABCG2
SCHEMBL29356128 0.73 CYP1A2 (0.40) OXTRMAOAMAOBABCG2LMNA
SCHEMBL13224414 0.73 CYP1A2 (0.40) OXTRMAOAMAOBABCG2LMNA

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-3935100-B1 NOVEL EXPANDING COPOLYMERS POLYMER COMPETENCE CENTER LEOBEN GMBH (AT) 2023-07-12 EP disclosed