SCHEMBL9530459

SCHEMBL9530459

CC1(C)Nc2c(C#N)cccc2C(N2CCCC2=O)C1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 2/20 0.51
▸ ABCC8 Q09428 2/20 0.51
▸ KCNJ11 Q14654 2/20 0.51
▸ KCNJ8 Q15842 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ MGLL Q99685 1/20 0.34
▸ NOTUM Q6P988 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ RET P07949 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR1A P08908 3/20 0.31
▸ DRD2 P14416 3/20 0.31
▸ HTR7 P34969 3/20 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 0.83 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531924 0.83 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9532374 0.78 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530480 0.76 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530475 0.76 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9530450 0.76 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531501 0.70 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9529808 0.70 LMNA (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9531246 0.70 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10538984 0.70 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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