SCHEMBL28040095

SCHEMBL28040095

OBO.c1ccc2c(C3CC3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.53
DRD2 P14416 1/20 0.53
MTNR1A P48039 2/20 0.49
KDM1A O60341 1/20 0.48
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPK1 P28482 1/20 0.42
MTNR1B P49286 1/20 0.41
IDO1 P14902 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
EPHX1 P07099 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL30477104 0.92 SLC6A4 (0.59) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL248440 0.92 SLC6A4 (0.59) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL8747043 0.85 MTNR1A (0.50) SLC6A4DRD2MTNR1AKDM1AHRH3
SCHEMBL3968194 0.83 SLC6A4 (0.56) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL497994 0.83 SLC6A4 (0.56) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL24034816 0.82 SLC6A4 (0.51) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL28701417 0.82 SLC6A4 (0.51) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL7650624 0.82 SLC6A4 (0.55) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL28695042 0.82 SLC6A4 (0.51) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL168782 0.82 SLC6A4 (0.54) SLC6A4DRD2MTNR1AKDM1ASLC6A2

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
CN-105175414-A Imidazole [4,5-b] pyridine mercaptoacetamide derivative as well as preparation method and application thereof UNIV SHANDONG 2015-12-23 CN claimed
CN-105175414-A Imidazole [4,5-b] pyridine mercaptoacetamide derivative as well as preparation method and application thereof UNIV SHANDONG 2015-12-23 CN disclosed