SCHEMBL8620786

SCHEMBL8620786

CC(N)C(Cc1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
SIGMAR1 Q99720 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ADRB2 P07550 2/20 0.42
TPH1 P17752 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42

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
Hydrochloric Acid SCHEMBL8624921 0.99 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1CTSL
SCHEMBL8620876 0.91 HTR2A (0.50) HTR2AHTR2CHTR2BSIGMAR1TPH1
SCHEMBL8618784 0.86 HTR2A (0.58) HTR2AHTR2CHTR2BSIGMAR1ADRB2
SCHEMBL8619607 0.84 HTR2A (0.46) HTR2AHTR2CHTR2BTPH1SLC6A2
SCHEMBL3729575 0.82 SLC6A2 (0.54) HTR2AHTR2CHTR2BSIGMAR1CYP3A4
SCHEMBL8623619 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL8621281 0.82 FDFT1 (0.55) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8621271 0.82 FDFT1 (0.55) SIGMAR1SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL3729016 0.81 SLC6A2 (0.52) HTR2AHTR2CHTR2BSIGMAR1CYP3A4
Ammonia Solution, Strong SCHEMBL3738837 0.81 SLC6A2 (0.52) HTR2AHTR2CHTR2BSIGMAR1CYP3A4

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