SCHEMBL7320000

SCHEMBL7320000

CC(C)C[C@H](N)C(O)c1cncn1COCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
LNPEP Q9UIQ6 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
AGER Q15109 1/20 0.36
TACR1 P25103 2/20 0.35
SLC1A1 P43005 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LMNA P02545 2/20 0.33
GABRA1 P14867 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
SCHEMBL7316105 0.82 CYP11B1 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL7316112 0.82 CYP11B1 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL7316104 0.82 CYP11B1 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL7314797 0.80 MAPT (0.41) LNPEPKMT2ACYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL7285811 0.77 CYP11B1 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL3712784 0.74 ACE2 (0.39) CYP11B1CYP11B2
SCHEMBL7313914 0.72 CTSK (0.42) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL7313899 0.72 CTSK (0.42) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL7369511 0.72 CYP11B1 (0.38) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL22850232 0.71 CYP11B1 (0.42) CYP11B1CYP11B2SLC1A1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed
US-4885292-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed