SCHEMBL8625286

SCHEMBL8625286

CC(N)C(Cc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
CNR1 P21554 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FDFT1 P37268 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP19A1 P11511 2/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL3374881 0.85 CYP19A1 (0.50) CNR1CYP3A4SLC6A2SLC6A3CYP19A1
SCHEMBL8620804 0.85 FDFT1 (0.53) CNR1CYP1A2CYP2D6FDFT1SLC6A2
SCHEMBL8625643 0.85 FDFT1 (0.53) CNR1CYP1A2CYP2D6FDFT1SLC6A2
SCHEMBL8623834 0.85 FDFT1 (0.53) CNR1CYP1A2CYP2D6FDFT1SLC6A2
SCHEMBL8623070 0.85 FDFT1 (0.53) CNR1CYP1A2CYP2D6FDFT1SLC6A2
SCHEMBL8619441 0.85 SLC6A2 (0.56) CNR1CYP2D6CYP2C9CYP2C19FDFT1
SCHEMBL8621289 0.85 SLC6A2 (0.56) CNR1CYP2D6CYP2C9CYP2C19FDFT1
Hydrochloric Acid SCHEMBL7761818 0.84 FDFT1 (0.52) CNR1CYP1A2CYP2D6FDFT1SLC6A2
SCHEMBL4691720 0.81 SLC6A3 (0.62) CNR1CYP2D6CYP2C9CYP2C19FDFT1
SCHEMBL8622323 0.81 TAAR1 (0.53) CNR1FDFT1SLC6A2SLC6A3ADRB1

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