SCHEMBL8620809

SCHEMBL8620809

CC(N)C(Cc1ccccc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
CNR1 P21554 2/20 0.46
ADRB2 P07550 1/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PNMT P11086 1/20 0.40
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
MDM2 Q00987 1/20 0.38
IDO1 P14902 1/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
AOC3 Q16853 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL13068399 0.84 HTT (0.47) SLC6A2SLC6A3ADRB2LMNAHDAC8
Hydrochloric Acid SCHEMBL3373847 0.83 HDAC8 (0.48) SLC6A2SLC6A3ADRB2LMNAHDAC8
SCHEMBL8621733 0.82 CYP1A2 (0.44) SLC6A2SLC6A3SLC6A4ADRB2CYP2C19
Hydrochloric Acid SCHEMBL5721205 0.80 SLC6A4 (0.44) SLC6A2SLC6A3SLC6A4CNR1ADRB2
SCHEMBL8627137 0.80 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CNR1ADRB2
Hydrochloric Acid SCHEMBL3374865 0.79 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4CNR1ADRB2
SCHEMBL4691720 0.78 SLC6A3 (0.62) SLC6A2SLC6A3SLC6A4CNR1ADRB2
SCHEMBL3374924 0.77 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CNR1TAAR1
SCHEMBL27614823 0.77 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CNR1TAAR1
SCHEMBL3374922 0.77 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CNR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 US disclosed
EP-0611749-B1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMA CO LTD (JP) 1997-10-22 EP disclosed
US-5616803-A EXHIBIT SQUALENE SYNTHASE-INHIBITORY ACTIVITIES; USEFUL IN TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA, HYPERLIPEMIA AND ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-04-01 US disclosed
US-5606101-A INTERMEDIATES FOR SQUALENE SYNTHASE INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-02-25 US disclosed
US-5488149-A SQUALENE SYNTHASE INHIBITORS AS ANTICHOLESTEROL OR ANTILIPEMIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-30 US disclosed
EP-0611749-A1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-08-24 EP disclosed