SCHEMBL31259980

SCHEMBL31259980

Cc1noc(C)c1C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.48
▸ CYP11B2 P19099 3/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ GAA P10253 2/20 0.47
▸ CYP2C9 P11712 3/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MMP12 P39900 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
SCHEMBL14789897 1.00 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2GAACYP2C9
SCHEMBL31260099 0.84 CYP11B2 (0.45) CYP11B1CYP11B2CYP1A2GAATSHR
SCHEMBL14792915 0.84 CYP11B2 (0.45) CYP11B1CYP11B2CYP1A2GAATSHR
SCHEMBL31260010 0.82 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2
SCHEMBL14789837 0.82 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2
SCHEMBL21518692 0.78 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL31260033 0.75 CYP11B2 (0.58) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL14789896 0.75 CYP11B2 (0.58) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL14778457 0.74 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL31259949 0.74 CYP11B2 (0.57) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1

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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