SCHEMBL8562432

SCHEMBL8562432

O=C(OCc1ccccc1)C1Cc2ccccc2N(Cc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
CACNA1G O43497 2/20 0.51
CACNA1H O95180 2/20 0.51
CACNA1I Q9P0X4 2/20 0.51
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
BRD4 O60885 2/20 0.48
ATM Q13315 1/20 0.47
BRS3 P32247 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL8562438 1.00 TDP1 (0.57) TDP1MTNR1AMTNR1BCACNA1GCACNA1H
SCHEMBL8562434 1.00 TDP1 (0.57) TDP1MTNR1AMTNR1BCACNA1GCACNA1H
SCHEMBL429807 0.90 MTNR1A (0.58) TDP1MTNR1AMTNR1BHPGDKMT2A
SCHEMBL431599 0.85 MTNR1A (0.60) MTNR1AMTNR1BCACNA1GCACNA1HCACNA1I
SCHEMBL8566298 0.83 MTNR1A (0.64) MTNR1AMTNR1BCACNA1GCACNA1HCACNA1I
SCHEMBL8566307 0.83 MTNR1A (0.64) MTNR1AMTNR1BCACNA1GCACNA1HCACNA1I
SCHEMBL8566302 0.83 MTNR1A (0.64) MTNR1AMTNR1BCACNA1GCACNA1HCACNA1I
SCHEMBL10148376 0.79 ALDH1A1 (0.48) TDP1MTNR1AMTNR1BHPGDKMT2A
SCHEMBL8569399 0.77 NPC1 (0.56) HPGDL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL8569404 0.77 NPC1 (0.56) HPGDL3MBTL1NPC1RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US 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