SCHEMBL11539445

SCHEMBL11539445

OCC(COc1ccccc1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.46
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 4/20 0.46
HTR1A P08908 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.41
TACR1 P25103 2/20 0.40

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
SCHEMBL11542228 0.86 KDM4E (0.54) L3MBTL1MEN1KMT2AKDM4ECYP2D6
Acetone SCHEMBL27408651 0.82 OPRD1 (0.45) SLC6A2SLC6A3SLC6A4KDM4ECYP2D6
SCHEMBL11542902 0.82 IDO1 (0.61) SLC6A3L3MBTL1MEN1KMT2AKDM4E
SCHEMBL11539312 0.82 PKM (0.49) L3MBTL1KMT2AKDM4ETSHR
SCHEMBL11374864 0.78 MEN1 (0.56) SLC6A2SLC6A3SLC6A4HTR1AL3MBTL1
SCHEMBL24322808 0.73 L3MBTL1 (0.77) L3MBTL1MEN1KMT2AKDM4ECYP2D6
SCHEMBL11377141 0.73 LTA4H (0.46) SLC6A2SLC6A3SLC6A4HTR1AL3MBTL1
SCHEMBL5878421 0.73 L3MBTL1 (0.77) L3MBTL1MEN1KMT2AKDM4ECYP2D6
SCHEMBL3315836 0.72 SLC6A4 (0.39) SLC6A2SLC6A3SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL11552618 0.71 TSHR (0.50) L3MBTL1MEN1KMT2AKDM4ECYP2D6

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-4170653-A Antidepressant naphthyloxy piperidino and pyrrolidino propanol ethers Ayerst McKenna and Harrison Limited (CA) 1979-10-09 US disclosed
US-4060613-A ANTIDEPRESSANT AYERST MCKENNA AND HARRISON LTD. (CA) 1977-11-29 US disclosed