SCHEMBL6504426

SCHEMBL6504426

COC(=O)C(N)Cc1cncn1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.61
CYP11B2 P19099 11/20 0.61
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
ACE2 Q9BYF1 4/20 0.44
ACE P12821 3/20 0.44
PGGT1B P53609 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL8297235 1.00 CYP11B1 (0.61) CYP11B1CYP11B2FNTAFNTBACE2
Hydrochloric Acid SCHEMBL6504420 0.99 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBACE2
SCHEMBL10448124 0.86 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL10397191 0.86 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBACE2
SCHEMBL8255653 0.86 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBACE2
SCHEMBL2224029 0.86 ACE2 (0.58) CYP11B1CYP11B2FNTAFNTBACE2
SCHEMBL2224035 0.86 ACE2 (0.58) CYP11B1CYP11B2FNTAFNTBACE2
SCHEMBL10448576 0.81 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL10448577 0.81 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL8248519 0.81 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBACE2

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed