SCHEMBL11539710

SCHEMBL11539710

ClC(COc1ccccc1)CN1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.50
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
LTA4H P09960 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
DRD4 P21917 4/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7271333 0.86 KDM4E (0.67) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL11538263 0.84 TSHR (0.68) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL5878421 0.82 L3MBTL1 (0.77) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL24322808 0.82 L3MBTL1 (0.77) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL11543765 0.82 KDM4E (0.57) L3MBTL1KDM4ECYP2D6TSHRHIF1A
Dimethylamine SCHEMBL7279750 0.77 L3MBTL1 (0.69) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL27945286 0.75 LTA4H (0.54) KDM4ESIGMAR1LTA4HKMT2AMEN1
SCHEMBL9808111 0.74 LMNA (0.56) L3MBTL1KDM4ECYP2D6ALDH1A1LMNA
SCHEMBL211606 0.72 LTA4H (0.77) KDM4ESIGMAR1LTA4HKMT2AMEN1
SCHEMBL9122265 0.72 LTA4H (0.77) KDM4ESIGMAR1LTA4HKMT2AMEN1

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