SCHEMBL8621733

SCHEMBL8621733

CC(N)C(Cc1cccc2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CTNNB1 P35222 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 1/20 0.40
SLC6A4 P31645 1/20 0.40
TACR1 P25103 1/20 0.40
ADRB2 P07550 5/20 0.40
MC4R P32245 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2D6 P10635 1/20 0.38
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 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
SCHEMBL8620809 0.82 SLC6A2 (0.47) CYP2C19SLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL8623862 0.79 GAA (0.40) SLC6A2SLC6A3KDR
SCHEMBL8619656 0.79 SLC6A2 (0.36) CYP2C19SLC6A2SLC6A3ADRB2CYP2D6
SCHEMBL8627137 0.75 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4ADRB2SIGMAR1
SCHEMBL20495645 0.75 CYP1A2 (0.47) CYP1A2CYP2C19CTNNB1TACR1ADRB2
SCHEMBL30119544 0.75 CYP1A2 (0.47) CYP1A2CYP2C19CTNNB1TACR1ADRB2
SCHEMBL31054201 0.74 HTR2A (0.55) CYP1A2CYP2C19CTNNB1SLC6A2SLC6A3
SCHEMBL31054151 0.74 HTR2A (0.55) CYP1A2CYP2C19CTNNB1SLC6A2SLC6A3
SCHEMBL266931 0.74 HTR2A (0.55) CYP1A2CYP2C19CTNNB1SLC6A2SLC6A3
SCHEMBL8618784 0.74 HTR2A (0.58) CYP1A2SLC6A2SLC6A3TACR1ADRB2

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