SCHEMBL8563605

SCHEMBL8563605

CN(C)C(=O)N1CCCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.68
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TSHR P16473 2/20 0.64
SIGMAR1 Q99720 1/20 0.58
POLB P06746 2/20 0.57
HTT P42858 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
AVPR2 P30518 1/20 0.57
AVPR1A P37288 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL4376794 0.90 POLB (0.69) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL29510859 0.81 NOTUM (1.00) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL709869 0.81 NOTUM (1.00) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL4019697 0.81 SMN1; SMN2 (0.79) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL12308329 0.81 NOTUM (0.69) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6127792 0.80 KDM4E (0.66) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8623849 0.80 ALDH1A1 (0.65) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL29353444 0.80 SMN1; SMN2 (0.77) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL4291340 0.80 SMN1; SMN2 (0.77) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL2829456 0.80 SMN1; SMN2 (0.77) NOTUMSMN1; SMN2MEN1KMT2ATSHR

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
CN-1169986-A 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives CIBA GEIGY AG (CH) 1998-01-14 CN disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed