SCHEMBL9532407

SCHEMBL9532407

CC1(C)C=C(N2CCCC2=O)c2cccc(C#N)c2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.36
▸ GRM1 Q13255 1/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ ABCC9 O60706 2/20 0.32
▸ ABCC8 Q09428 2/20 0.32
▸ KCNJ11 Q14654 2/20 0.32
▸ KCNJ8 Q15842 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL9530888 0.82 NPC1 (0.35) GRM5GRM1CYP1A2CYP2D6CYP2C9
SCHEMBL9529728 0.82 CNR2 (0.42) GRM5GRM1CYP1A2CYP2D6CYP2C9
SCHEMBL9530870 0.75 PGR (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9529724 0.68 LRRK2 (0.38) LMNATSHRALDH1A1HPGD
SCHEMBL9530317 0.68 MEN1 (0.40) LMNATSHRALDH1A1HPGDMEN1
SCHEMBL9587447 0.67 TSHR (0.40) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL5667100 0.66 ALDH1A1 (0.49) LMNADRD2SMN1; SMN2ALDH1A1HPGD
SCHEMBL27807504 0.65 CNR2 (0.42) JAK2TYK2CYP1A2CYP2D6CYP2C9
SCHEMBL9587908 0.64 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9139375 0.64 PDE4A (0.52) 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 1 patent. 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
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