SCHEMBL22004591

SCHEMBL22004591

CCSNCc1cncc(-c2cc(F)c3c(c2)CCC(=O)N3C)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 19/20 0.47
▸ CYP11B2 P19099 19/20 0.47
▸ BMPR1B O00238 1/20 0.43
▸ BMPR1A P36894 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43

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
SCHEMBL22004719 0.88 CYP11B2 (0.47) CYP11B1CYP11B2
SCHEMBL14789950 0.84 CYP11B2 (0.55) CYP11B1CYP11B2BMPR1BBMPR1ATGFBR1
SCHEMBL31259961 0.84 CYP11B2 (0.55) CYP11B1CYP11B2BMPR1BBMPR1ATGFBR1
SCHEMBL21535322 0.82 CYP11B1 (0.59) CYP11B1CYP11B2
SCHEMBL21535180 0.82 CYP11B2 (0.45) CYP11B1CYP11B2BMPR1BBMPR1ATGFBR1
SCHEMBL14780277 0.82 BMPR1B (0.48) CYP11B1CYP11B2BMPR1BBMPR1ATGFBR1
SCHEMBL22005286 0.82 CYP11B1 (0.60) CYP11B1CYP11B2
SCHEMBL22004683 0.81 CYP11B1 (0.58) CYP11B1CYP11B2BMPR1BBMPR1ATGFBR1
SCHEMBL22005312 0.81 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL22004493 0.75 CYP11B2 (0.49) CYP11B1CYP11B2

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-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 — — EP disclosed
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