SCHEMBL15869737

SCHEMBL15869737

CN1C(=O)Cc2c1ccc(-c1cncc(CNC=O)c1)c2Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.38
CYP11B2 P19099 14/20 0.38
BMPR1A P36894 5/20 0.35
ACVRL1 P37023 5/20 0.35
ACVR1 Q04771 5/20 0.35
BMPR1B O00238 4/20 0.35
TGFBR1 P36897 2/20 0.33

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
SCHEMBL15869740 0.89 CYP11B1 (0.39) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL769027 0.85 CYP11B2 (0.41) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL769604 0.84 CYP11B1 (0.40) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL15869738 0.80 CYP11B2 (0.42) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL769387 0.80 LMNA (0.41) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL769240 0.79 CYP11B1 (0.41) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL750894 0.78 BMPR1A (0.40) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL769004 0.78 CYP11B2 (0.44) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL749146 0.78 BMPR1A (0.40) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL769229 0.78 ACVRL1 (0.38) CYP11B1CYP11B2BMPR1AACVRL1ACVR1

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