SCHEMBL6203586

SCHEMBL6203586

Cc1ccc(Oc2cccc(CCN)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.54
MAOB P27338 2/20 0.47
ACHE P22303 3/20 0.45
LTA4H P09960 1/20 0.42
PLA2G2A P14555 1/20 0.42
PPARG P37231 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRS3 P32247 1/20 0.39
HTR7 P34969 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL15160167 0.81 PPARG (0.43) MAOBPPARGALDH1A1BRS3LMNA
SCHEMBL6201445 0.81 LMNA (0.64) TAAR1ACHEALDH1A1LMNATDP1
SCHEMBL15493030 0.79 PPARG (0.41) MAOBPPARGBRS3LMNATDP1
SCHEMBL15158641 0.78 PPARG (0.41) MAOBPPARGBRS3LMNATDP1
SCHEMBL257992 0.77 MAOB (0.55) MAOBLTA4HALDH1A1LMNATDP1
SCHEMBL30098542 0.77 MAOB (0.55) MAOBLTA4HALDH1A1LMNATDP1
SCHEMBL4374778 0.77 ST14 (0.55) MAOB
SCHEMBL8736450 0.77 LYN (0.60) ACHEALDH1A1LMNATDP1
SCHEMBL415399 0.76 TAAR1 (0.65) TAAR1MAOBACHELTA4HPLA2G2A
SCHEMBL6201328 0.76 TAAR1 (0.56) TAAR1MAOBACHELMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581498-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047739-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed