SCHEMBL7270872

SCHEMBL7270872

COc1ccc(CCNCCCCCCNCCc2ccc(Cl)cc2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.70
GAA P10253 1/20 0.59
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 2/20 0.56
ATM Q13315 1/20 0.56
CNR1 P21554 1/20 0.56
GLA P06280 1/20 0.53
SMPD1 P17405 1/20 0.52
MAPT P10636 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL30798962 0.91 SLC2A1 (0.76) SLC2A1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL27849455 0.87 SLC2A1 (0.85) SLC2A1ALDH1A1SMN1; SMN2POLBATM
Hydrochloric Acid SCHEMBL10452642 0.86 SLC2A1 (0.67) SLC2A1ALDH1A1SMN1; SMN2KDM4ELMNA
Hydrochloric Acid SCHEMBL7272231 0.86 SLC2A1 (0.87) SLC2A1ALDH1A1SMN1; SMN2KMT2APOLB
Hydrochloric Acid SCHEMBL10452455 0.86 SLC2A1 (0.87) SLC2A1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL4615848 0.85 SLC2A1 (0.69) SLC2A1ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL4616087 0.85 SLC2A1 (0.69) SLC2A1ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL11811971 0.85 SLC2A1 (0.68) SLC2A1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL7435099 0.84 ATM (0.76) SLC2A1ALDH1A1SMN1; SMN2KDM4EKMT2A
Hydrochloric Acid SCHEMBL7279840 0.84 SLC2A1 (0.72) SLC2A1ALDH1A1SMN1; SMN2KDM4EKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013760-A Phenylethylamine derivatives and pharmaceutical use FISONS PLC (GB) 1991-05-07 US disclosed
EP-0117033-B1 PHARMACEUTICAL FORMULATIONS FISONS plc (GB) 1987-09-30 EP disclosed
US-4645768-A TREATMENT OF CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-02-24 US disclosed
EP-0117033-A2 Pharmaceutical formulations FISONS plc (GB) 1984-08-29 EP disclosed
EP-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 EP disclosed