SCHEMBL8563686

SCHEMBL8563686

COC[C@H]1Cc2ccccc2N(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.60
MTNR1B P49286 4/20 0.60
BRS3 P32247 1/20 0.44
CACNA1G O43497 4/20 0.43
CACNA1H O95180 4/20 0.43
CACNA1I Q9P0X4 3/20 0.43
BRD4 O60885 3/20 0.42
ALOX12 P18054 1/20 0.41
SIRT1 Q96EB6 1/20 0.39
BCHE P06276 2/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL8563681 1.00 MTNR1A (0.60) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8563680 1.00 MTNR1A (0.60) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL10689632 0.82 MTNR1A (0.62) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8563909 0.81 MTNR1A (0.53) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8563914 0.81 MTNR1A (0.53) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8560060 0.81 MTNR1A (0.64) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8560054 0.81 MTNR1A (0.64) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8560058 0.81 MTNR1A (0.64) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL31021724 0.80 HPGD (0.56)
SCHEMBL25740830 0.78 MTNR1A (0.56) MTNR1AMTNR1BBRS3CACNA1GCACNA1H

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