SCHEMBL7800512

SCHEMBL7800512

CCOc1ccccc1CN.O=Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TTR P02766 1/20 0.42
ALDH1A1 P00352 5/20 0.41
RELA Q04206 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
HRH1 P35367 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39

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
Benzaldehyde SCHEMBL7802566 0.89 L3MBTL1 (0.50) MAPTNPSR1L3MBTL1ALDH1A1RELA
SCHEMBL7802655 0.89 MAOA (0.46) LTA4HMAPTNPSR1L3MBTL1TTR
SCHEMBL7802629 0.86 MAPT (0.46) MAPTNPSR1L3MBTL1ALDH1A1RELA
SCHEMBL31195759 0.78 L3MBTL1 (0.60) MAPTNPSR1L3MBTL1ALDH1A1GRIN1
SCHEMBL469001 0.78 L3MBTL1 (0.60) MAPTNPSR1L3MBTL1ALDH1A1GRIN1
SCHEMBL7800110 0.76 TAAR1 (0.60) TTRALDH1A1KDM4EHRH1KMT2A
SCHEMBL7800928 0.75 ALDH1A1 (0.48) LTA4HMAPTL3MBTL1TTRALDH1A1
SCHEMBL3073989 0.75 LTA4H (0.59) LTA4HMAPTALDH1A1RELASMN1; SMN2
SCHEMBL7798150 0.74 L3MBTL1 (0.42) MAPTNPSR1L3MBTL1ALDH1A1GRIN1
SCHEMBL888020 0.74 ALDH1A1 (0.59) LTA4HMAPTL3MBTL1TTRALDH1A1

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-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