SCHEMBL8623670

SCHEMBL8623670

CC(N)C(Cc1cccc(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.65
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GRIN2B Q13224 1/20 0.44
ADRB2 P07550 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CYP3A4 P08684 2/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
AOC3 Q16853 1/20 0.41
TACR1 P25103 2/20 0.40
MDM2 Q00987 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 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
SCHEMBL8623149 0.85 PNMT (0.46) PNMTSLC6A2SLC6A3TAAR1CNR1
SCHEMBL8627137 0.85 SLC6A2 (0.52) PNMTSLC6A2SLC6A3ADRB2TAAR1
SCHEMBL200500 0.84 SLC6A2 (0.56) PNMTSLC6A2SLC6A3CNR1CNR2
SCHEMBL8622323 0.84 TAAR1 (0.53) PNMTSLC6A2SLC6A3TAAR1CNR1
Hydrochloric Acid SCHEMBL3374865 0.84 SLC6A2 (0.50) PNMTSLC6A2SLC6A3ADRB2TAAR1
SCHEMBL4691720 0.83 SLC6A3 (0.62) PNMTSLC6A2SLC6A3ADRB2CNR1
Hydrochloric Acid SCHEMBL3372120 0.83 SLC6A2 (0.54) PNMTSLC6A2SLC6A3CNR1CNR2
Hydrochloric Acid SCHEMBL3371509 0.82 SLC6A2 (0.60) SLC6A2SLC6A3ADRB2CNR1CNR2
SCHEMBL8622251 0.81 PNMT (0.60) PNMTSLC6A2SLC6A3ADRB2TAAR1
SCHEMBL8618784 0.81 HTR2A (0.58) PNMTSLC6A2SLC6A3ADRB2CNR1

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