SCHEMBL8623619

SCHEMBL8623619

CC(N)C(Cc1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
UTS2R Q9UKP6 10/20 0.44
CNR1 P21554 2/20 0.43
PNMT P11086 1/20 0.41
CYP2A6 P11509 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CNR2 P34972 1/20 0.38
FDFT1 P37268 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
SCHEMBL8619607 0.90 HTR2A (0.46) HTR2AHTR2CHTR2BUTS2RCNR1
SCHEMBL8623149 0.89 PNMT (0.46) UTS2RCNR1PNMTCYP2A6SLC6A2
SCHEMBL8618784 0.87 HTR2A (0.58) HTR2AHTR2CHTR2BCNR1PNMT
SCHEMBL8621420 0.82 UTS2R (0.45) HTR2AHTR2CHTR2BUTS2RCNR1
SCHEMBL8625124 0.82 HTR2A (0.50) HTR2AHTR2CHTR2BCNR1CYP2A6
SCHEMBL8620786 0.82 HTR2A (0.58) HTR2AHTR2CHTR2BSLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8624921 0.81 HTR2A (0.56) HTR2AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL8623670 0.80 PNMT (0.65) CNR1PNMTSLC6A2SLC6A3CNR2
SCHEMBL8622323 0.80 TAAR1 (0.53) CNR1PNMTSLC6A2SLC6A3CNR2
SCHEMBL8623635 0.80 PRMT6 (0.47) CNR1PNMTSLC6A2SLC6A3

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 5 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-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