SCHEMBL9530870

SCHEMBL9530870

CC1(C)C=C(N2CCCC2=O)c2cc(C#N)ccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.41
▸ AR P10275 4/20 0.41
▸ ABCC9 O60706 2/20 0.41
▸ ABCC8 Q09428 2/20 0.41
▸ KCNJ11 Q14654 2/20 0.41
▸ KCNJ8 Q15842 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHEK1 O14757 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ NR3C1 P04150 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ TP53 P04637 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 0.82 LRRK2 (0.38) PGRARLMNAKDM4EMAPT
SCHEMBL9530317 0.82 MEN1 (0.40) PGRARLMNAKDM4EMAPT
SCHEMBL9587908 0.81 ABCC9 (0.41) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9139375 0.77 PDE4A (0.52) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9532407 0.75 GRM5 (0.36) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10759518 0.74 PDE4A (0.51) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9202844 0.74 PDE4A (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9206849 0.72 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735603 0.72 PDE4A (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8130466 0.70 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8LMNA

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
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-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-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
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