SCHEMBL8560058

SCHEMBL8560058

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.64
MTNR1B P49286 4/20 0.64
BRS3 P32247 1/20 0.47
CACNA1G O43497 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
BRD4 O60885 3/20 0.45
SIRT1 Q96EB6 1/20 0.45
ALOX12 P18054 1/20 0.41
ADORA2A P29274 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.40
HTR1A P08908 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TEAD1 P28347 1/20 0.39
GBA1 P04062 1/20 0.39
CYP2D6 P10635 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
SCHEMBL8560054 1.00 MTNR1A (0.64) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8560060 1.00 MTNR1A (0.64) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL10689632 0.86 MTNR1A (0.62) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL29504963 0.82 TEAD1 (0.61) MTNR1AMTNR1BSIRT1SIGMAR1TEAD1
SCHEMBL22719728 0.82 TEAD1 (0.61) MTNR1AMTNR1BSIRT1SIGMAR1TEAD1
SCHEMBL2035198 0.81 MTNR1A (0.64) MTNR1AMTNR1BTRPM5CYP2D6
SCHEMBL8563680 0.81 MTNR1A (0.60) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8563686 0.81 MTNR1A (0.60) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL8563681 0.81 MTNR1A (0.60) MTNR1AMTNR1BBRS3CACNA1GCACNA1H
SCHEMBL31213705 0.79 MTNR1A (0.44) 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