SCHEMBL7223041

SCHEMBL7223041

[NH]CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.58
LTA4H P09960 6/20 0.57
TSHR P16473 1/20 0.52
SRD5A2 P31213 3/20 0.50
FFAR4 Q5NUL3 2/20 0.49
EPHX2 P34913 1/20 0.49
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
MAOA P21397 1/20 0.46
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
DAO P14920 1/20 0.44

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
SCHEMBL19322270 0.86 LTA4H (0.67) FFAR1LTA4HTSHRSRD5A2FFAR4
SCHEMBL28724005 0.84 FFAR1 (0.64) FFAR1LTA4HTSHRSRD5A2FFAR4
SCHEMBL1350555 0.82 LTA4H (0.61) FFAR1LTA4HTSHRSRD5A2NR1H2
SCHEMBL2201304 0.82 FFAR1 (0.62) FFAR1LTA4HTSHRSRD5A2FFAR4
SCHEMBL19322272 0.82 FFAR1 (0.62) FFAR1LTA4HTSHRSRD5A2FFAR4
SCHEMBL23573012 0.81 FFAR1 (0.61) FFAR1LTA4HTSHRSRD5A2FFAR4
SCHEMBL19322285 0.80 FFAR1 (0.60) FFAR1LTA4HTSHRSRD5A2FFAR4
SCHEMBL12514597 0.80 ALDH1A1 (0.61) FFAR1LTA4HTSHRSRD5A2FFAR4
SCHEMBL19322273 0.80 FFAR1 (0.60) FFAR1LTA4HTSHRSRD5A2FFAR4
SCHEMBL19322269 0.80 FFAR1 (0.60) FFAR1LTA4HTSHRSRD5A2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
US-6608082-B1 Treatment of erectile dysfunction using isoquinoline compound melanocortin receptor ligands LION BIOSCIENCE AG (DE) 2003-08-19 US disclosed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed