SCHEMBL8620876

SCHEMBL8620876

CC(N)C(Cc1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 8/20 0.48
KCNH2 Q12809 6/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 5/20 0.48
TPH1 P17752 9/20 0.44
SIGMAR1 Q99720 1/20 0.43
UGT2B7 P16662 1/20 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
SCHEMBL8620786 0.91 HTR2A (0.58) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL3729575 0.91 SLC6A2 (0.54) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8624921 0.90 HTR2A (0.56) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL3729016 0.90 SLC6A2 (0.52) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL3738837 0.90 SLC6A2 (0.52) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL8625124 0.86 HTR2A (0.50) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL8619607 0.84 HTR2A (0.46) HTR2AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL8620429 0.82 FDFT1 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL8621712 0.80 SIGMAR1 (0.47) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL8623834 0.79 FDFT1 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1

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