SCHEMBL7811673

SCHEMBL7811673

Cc1c(-c2cccnc2)n(C)c2ccc(CCCO)cc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.58
TBXAS1 P24557 5/20 0.48
CYP11B1 P15538 2/20 0.42
MAOA P21397 1/20 0.42
MAPT P10636 1/20 0.40
TACR1 P25103 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
BACE1 P56817 1/20 0.38
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL7815564 0.88 CYP11B2 (0.64) CYP11B2TBXAS1CYP11B1MAOATACR1
SCHEMBL7803234 0.83 CYP11B2 (0.60) CYP11B2TBXAS1CYP11B1MAOAMAPT
SCHEMBL7803263 0.82 CYP11B2 (0.53) CYP11B2TBXAS1CYP11B1MAOATACR1
SCHEMBL7803153 0.80 CYP11B2 (0.51) CYP11B2TBXAS1CYP11B1MAOATACR1
SCHEMBL7817257 0.78 CYP11B2 (0.53) CYP11B2TBXAS1CYP11B1MAOAMAPT
SCHEMBL7815329 0.77 CYP11B2 (0.68) CYP11B2TBXAS1CYP11B1MAOAPPARG
SCHEMBL1606034 0.75 CYP11B2 (1.00) CYP11B2TBXAS1CYP11B1MAOAMAPT
SCHEMBL10373582 0.74 CYP11B2 (0.61) CYP11B2TBXAS1CYP11B1MAOAMAPT
SCHEMBL1606827 0.74 TBXAS1 (0.55) CYP11B2TBXAS1CYP11B1MAOAMAPT
Hydrochloric Acid SCHEMBL10375586 0.74 TBXAS1 (0.77) CYP11B2TBXAS1CYP11B1MAOAMAPT

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-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed