SCHEMBL7792557

SCHEMBL7792557

COc1cccc(CN)c1.O=Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
MAOA P21397 3/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TTR P02766 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
G6PC1 P35575 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5 P09917 1/20 0.43
ALOX5AP P20292 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7792799 0.91 MAOB (0.52) MAOBMAOAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7798169 0.91 NPC1 (0.63) MAOBMAOAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7792570 0.82 NPC1 (0.59) MAOBMAOAALDH1A1KDM4ESMN1; SMN2
SCHEMBL17099392 0.81 NPC1 (0.58) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL920587 0.81 MAOB (0.63) MAOBALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL7792264 0.81 ALDH1A1 (0.56) MAOBALDH1A1KDM4ESMN1; SMN2HTT
Glycine SCHEMBL8204567 0.80 NPC1 (0.56) MAOBMAOAALDH1A1KDM4ESMN1; SMN2
SCHEMBL921289 0.80 MAOB (0.61) MAOBALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL30866102 0.80 NPC1 (0.65) MAOBMAOAALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL18641293 0.80 MAOB (0.64) MAOBALDH1A1KDM4ESMN1; SMN2HTT

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