SCHEMBL31260033

SCHEMBL31260033

O=C1CCc2cc(-c3cncc(CNC(=O)c4ncccc4Cl)c3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 12/20 0.58
▸ CYP11B1 P15538 10/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TBXAS1 P24557 1/20 0.51
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CYP19A1 P11511 3/20 0.40
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ WNT1 P04628 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ SCN2A Q99250 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL14789896 1.00 CYP11B2 (0.58) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1
SCHEMBL31260100 0.88 CYP11B2 (0.60) CYP11B2CYP11B1CYP1A2CYP19A1SCN2A
SCHEMBL14792958 0.88 CYP11B2 (0.60) CYP11B2CYP11B1CYP1A2CYP19A1SCN2A
SCHEMBL31259976 0.83 CYP11B2 (0.50) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1
SCHEMBL14779034 0.83 CYP11B2 (0.50) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1
SCHEMBL14789877 0.81 CYP11B2 (0.65) CYP11B2CYP11B1CYP1A2CYP19A1
SCHEMBL31259957 0.81 CYP11B2 (0.65) CYP11B2CYP11B1CYP1A2CYP19A1
SCHEMBL14789987 0.78 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1
SCHEMBL31260002 0.78 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1
SCHEMBL21518692 0.76 CYP11B1 (0.62) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1

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-3653618-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 — — EP disclosed
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