SCHEMBL9530450

SCHEMBL9530450

CC1(C)Nc2ccc(C#N)cc2[C@H](N2CCCC2=O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 7/20 0.64
▸ ABCC8 Q09428 2/20 0.64
▸ KCNJ11 Q14654 2/20 0.64
▸ KCNJ8 Q15842 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PDGFRB P09619 1/20 0.38

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
SCHEMBL9530475 1.00 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530480 1.00 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10538984 0.83 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530830 0.83 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530832 0.83 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531501 0.83 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531246 0.83 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9529808 0.83 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531495 0.83 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10543412 0.83 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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 7 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
EP-0150202-B1 DI/TETRA-HYDROQUINOLINES BEECHAM GROUP PLC (GB) 1988-07-06 — — EP 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-0150202-B1 DI/TETRA-HYDROQUINOLINES BEECHAM GROUP PLC (GB) 1988-07-06 — — EP 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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