SCHEMBL8620429

SCHEMBL8620429

CC(N)C(Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.47
PNMT P11086 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
KCNH2 Q12809 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
SIGMAR1 Q99720 1/20 0.41
PTPN5 P54829 1/20 0.41
PRCP P42785 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL8621271 0.92 FDFT1 (0.55) FDFT1PNMTCYP1A2CYP2C9CYP2C19
SCHEMBL8621281 0.92 FDFT1 (0.55) FDFT1PNMTCYP1A2CYP2C9CYP2C19
SCHEMBL8625916 0.85 SLC6A2 (0.51) PNMTSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8623834 0.84 FDFT1 (0.53) FDFT1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL8625643 0.84 FDFT1 (0.53) FDFT1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL8620804 0.84 FDFT1 (0.53) FDFT1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL8623070 0.84 FDFT1 (0.53) FDFT1CYP1A2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7761818 0.83 FDFT1 (0.52) FDFT1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL8620876 0.82 HTR2A (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL8621294 0.81 FDFT1 (0.62) FDFT1PNMTCYP1A2CYP2C9CYP2C19

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
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