SCHEMBL9530317

SCHEMBL9530317

CC1(C)C=C(N2CCCC2=O)c2cc(Br)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LRRK2 Q5S007 2/20 0.38
▸ PGR P06401 7/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ AR P10275 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TGM2 P21980 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL9529724 0.85 LRRK2 (0.38) LRRK2PGRNR3C1ARHSD17B10
SCHEMBL9530870 0.82 PGR (0.41) LRRK2PGRNR3C1ARHSD17B10
SCHEMBL9588069 0.78 CA1 (0.38) MEN1KMT2ALRRK2HSD17B10LMNA
SCHEMBL9587860 0.78 CA1 (0.38) MEN1KMT2ALRRK2HSD17B10LMNA
SCHEMBL9530888 0.76 NPC1 (0.35) MEN1KMT2AHSD17B10LMNACES1
SCHEMBL9529728 0.71 CNR2 (0.42) MEN1KMT2AMAPTLMNATGM2
SCHEMBL9735249 0.70 POLB (0.33) MEN1KMT2AHSD17B10KDM4EMAPT
SCHEMBL9532407 0.68 GRM5 (0.36) MEN1KMT2ALMNABRD4ALDH1A1
SCHEMBL3381466 0.68 KDM4E (0.69) MEN1KMT2APGRNR3C1AR
SCHEMBL9846729 0.65 BACE1 (0.37) MEN1KMT2AHSD17B10TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214743-B1 USE OF QUINOLINE DERIVATIVES IN THE MANUFACTURE OF MEDICAMENTS FOR THE TREATMENT OF CEREBROVASCULAR DISORDERS AND CEREBRAL SENILITY BEECHAM GROUP PLC (GB) 1993-05-12 — — EP claimed
US-4808619-A HYPOTENSIVE AGENT, COGNITION ACTIVATOR BEECHAM GROUP P.L.C. (GB) 1989-02-28 — — US claimed
EP-0214743-A2 Use of quinoline derivatives in the manufacture of medicaments for the treatment of cerebrovascular disorders and cerebral senility BEECHAM GROUP PLC (GB) 1987-03-18 — — EP claimed
EP-0288196-B1 Sulfonyldecahydro-8H-isoquino[2,1-g][1,6]naphthyridines, optical isomers thereof and related compounds SYNTEX (U.S.A.) INC. (US) 1993-07-28 — — EP disclosed
EP-0214743-B1 USE OF QUINOLINE DERIVATIVES IN THE MANUFACTURE OF MEDICAMENTS FOR THE TREATMENT OF CEREBROVASCULAR DISORDERS AND CEREBRAL SENILITY BEECHAM GROUP PLC (GB) 1993-05-12 — — EP disclosed
US-4886798-A Optical isomers of sulfonyldecahydro-8H-isoquino-(2,1-G)(1,6) naphthyridines and related compounds useful as α2 -blockers SYNTEX (U.S.A.) INC. (US) 1989-12-12 — — US disclosed
US-4808619-A HYPOTENSIVE AGENT, COGNITION ACTIVATOR BEECHAM GROUP P.L.C. (GB) 1989-02-28 — — US disclosed
EP-0214743-A2 Use of quinoline derivatives in the manufacture of medicaments for the treatment of cerebrovascular disorders and cerebral senility BEECHAM GROUP PLC (GB) 1987-03-18 — — EP disclosed
Send feedback