SCHEMBL15869740

SCHEMBL15869740

CNCc1cncc(-c2ccc3c(c2Cl)CC(=O)N3C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.39
CYP11B2 P19099 12/20 0.39
ACVRL1 P37023 6/20 0.36
ACVR1 Q04771 6/20 0.36
BMPR1A P36894 5/20 0.36
BMPR1B O00238 4/20 0.36
TGFBR1 P36897 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSPO P30536 1/20 0.34

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
SCHEMBL15869737 0.89 CYP11B1 (0.38) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769027 0.88 CYP11B2 (0.41) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769604 0.87 CYP11B1 (0.40) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL15869738 0.83 CYP11B2 (0.42) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769387 0.83 LMNA (0.41) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769240 0.82 CYP11B1 (0.41) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL749146 0.81 BMPR1A (0.40) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769004 0.81 CYP11B2 (0.44) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL750894 0.81 BMPR1A (0.40) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL777743 0.80 CYP11B2 (0.46) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A

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
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed