SCHEMBL7802597

SCHEMBL7802597

COc1ccc(CCN)cc1.O=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.54
TAAR1 Q96RJ0 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
Benzoic Acid SCHEMBL7798612 0.91 MAOB (0.51) MAOBTAAR1NPC1RAB9ATDP1
SCHEMBL7800391 0.89 TAAR1 (0.59) MAOBTAAR1NPC1RAB9ATDP1
SCHEMBL7801502 0.89 TAAR1 (0.55) MAOBTAAR1NPC1RAB9ATDP1
SCHEMBL7800259 0.88 MAOB (0.58) MAOBTAAR1NPC1RAB9ATDP1
Phenethylamine SCHEMBL7800077 0.84 TAAR1 (0.62) MAOBTAAR1
Benzoic Acid SCHEMBL8035799 0.81 TAAR1 (0.44) MAOBTAAR1NPC1RAB9AMEN1
Benzoic Acid SCHEMBL7800370 0.81 MEN1 (0.53) MAOBTAAR1NPC1RAB9ATDP1
SCHEMBL7793185 0.81 RAB9A (0.47) MAOBNPC1RAB9ATDP1MEN1
SCHEMBL7800097 0.81 TAAR1 (0.61) MAOBTAAR1TDP1MEN1KMT2A
Benzoic Acid SCHEMBL7798463 0.80 MAOB (0.49) MAOBNPC1RAB9AMEN1KMT2A

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