SCHEMBL8618784

SCHEMBL8618784

CC(N)C(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
CYP2A6 P11509 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TACR1 P25103 2/20 0.41
CYP1A2 P05177 1/20 0.41
PNMT P11086 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ADRB2 P07550 2/20 0.40
OPRL1 P41146 1/20 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
SCHEMBL8625124 0.91 HTR2A (0.50) HTR2AHTR2CHTR2BCYP2A6SLC6A2
SCHEMBL8619607 0.89 HTR2A (0.46) HTR2AHTR2CHTR2BCYP2A6SLC6A2
SCHEMBL8623619 0.87 HTR2A (0.47) HTR2AHTR2CHTR2BCYP2A6SLC6A2
SCHEMBL8620786 0.86 HTR2A (0.58) HTR2AHTR2CHTR2BSLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8624921 0.84 HTR2A (0.56) HTR2AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL4691720 0.83 SLC6A3 (0.62) SLC6A2SLC6A3CNR1CNR2PNMT
SCHEMBL3374924 0.82 SLC6A2 (0.56) CYP2A6SLC6A2SLC6A3CNR1CNR2
SCHEMBL8627137 0.82 SLC6A2 (0.52) CYP2A6SLC6A2SLC6A3CNR1CNR2
SCHEMBL27614823 0.82 SLC6A2 (0.56) CYP2A6SLC6A2SLC6A3CNR1CNR2
SCHEMBL3374922 0.82 SLC6A2 (0.56) CYP2A6SLC6A2SLC6A3CNR1CNR2

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