SCHEMBL9531924

SCHEMBL9531924

CC1(C)Nc2c(Cl)cccc2C(N2CCCC2=O)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 2/20 0.41
▸ ABCC8 Q09428 2/20 0.41
▸ KCNJ11 Q14654 2/20 0.41
▸ KCNJ8 Q15842 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
▸ LMNA P02545 1/20 0.41
▸ MGLL Q99685 1/20 0.36
▸ PDE7A Q13946 1/20 0.34
▸ PDE7B Q9NP56 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL9529816 0.86 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530459 0.83 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9532374 0.81 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530832 0.77 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530830 0.77 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531246 0.77 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531501 0.72 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10538984 0.72 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9529808 0.72 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531495 0.72 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 2 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
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