SCHEMBL31259976

SCHEMBL31259976

CN(Cc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1)C(=O)c1ncccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 12/20 0.50
▸ CYP11B1 P15538 11/20 0.50
▸ CYP1A2 P05177 4/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ TBXAS1 P24557 1/20 0.50
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ CYP19A1 P11511 4/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAOA P21397 3/20 0.39
▸ MAOB P27338 3/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CRBN Q96SW2 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL14779034 1.00 CYP11B2 (0.50) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1
SCHEMBL14792337 0.88 CYP11B2 (0.55) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1
SCHEMBL31260084 0.88 CYP11B2 (0.55) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1
SCHEMBL31260033 0.83 CYP11B2 (0.58) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1
SCHEMBL14789896 0.83 CYP11B2 (0.58) CYP11B2CYP11B1CYP1A2CYP2C9TBXAS1
SCHEMBL31260104 0.82 CYP11B1 (0.65) CYP11B2CYP11B1CYP1A2CYP19A1
SCHEMBL14778936 0.82 CYP11B1 (0.65) CYP11B2CYP11B1CYP1A2CYP19A1
SCHEMBL14780411 0.79 CYP11B1 (0.51) CYP11B2CYP11B1CYP19A1
SCHEMBL31259974 0.73 CYP11B1 (0.60) CYP11B2CYP11B1CYP1A2CYP19A1
SCHEMBL14779345 0.73 CYP11B1 (0.60) CYP11B2CYP11B1CYP1A2CYP19A1

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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