SCHEMBL8796368

SCHEMBL8796368

COc1ccccc1CN(C(=O)NC(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.56
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HPGD P15428 3/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ANPEP P15144 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9781306 0.79 MEN1 (0.52) BCHEACHEMEN1KMT2ACRHBP
SCHEMBL9295704 0.76 MEN1 (0.68) PTGESMEN1KMT2A
SCHEMBL20132988 0.72 ALDH1A1 (0.56) KMT2AHPGDHTTTSHRALDH1A1
SCHEMBL14540454 0.72 MEN1 (0.74) BCHEACHEMEN1KMT2ACRHBP
SCHEMBL10067057 0.71 L3MBTL1 (0.47) PTGESMEN1KMT2AHPGDHTT
SCHEMBL12088736 0.71 CHRM2 (0.56) BCHEACHEMEN1KMT2ACRHBP
SCHEMBL13926593 0.69 MTNR1A (0.65) MEN1KMT2AHPGDHTTALDH1A1
SCHEMBL8933614 0.69 MEN1 (0.51) BCHEACHEMEN1KMT2ACRHBP
SCHEMBL3385998 0.69 MEN1 (0.51) BCHEACHEMEN1KMT2ACRHBP
SCHEMBL11329375 0.69 ACHE (0.55) PTGESBCHEACHEMEN1KMT2A

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-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP disclosed