SCHEMBL28031491

SCHEMBL28031491

Nc1ccc2c([c]cn2Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
HTR6 P50406 1/20 0.40
PLA2G2A P14555 2/20 0.38
SLC2A1 P11166 1/20 0.37
LMNA P02545 1/20 0.36
MAOB P27338 5/20 0.36
MAOA P21397 4/20 0.36
TNF P01375 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PLAU P00749 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2117187 0.81 CD74 (0.40) CNR2HTR6CYP11B1CYP11B2KDM4E
SCHEMBL694560 0.80 TNF (0.44) HTR6LMNATNFCYP11B1CYP11B2
SCHEMBL2117424 0.78 HTR6 (0.48) HTR6PLA2G2ALMNAALDH1A1
SCHEMBL27731250 0.76 ICMT (0.51) HTR6LMNA
SCHEMBL3856954 0.76 AGXT (0.43) HTR6LMNA
SCHEMBL27731265 0.76 SERPINE1 (0.43) HTR6
SCHEMBL28030916 0.76 PKM (0.46) CNR1ACHECNR2PLA2G2ALMNA
SCHEMBL27751725 0.76 HDAC8 (0.40) SLC2A1LMNACYP11B1CYP11B2KDM4E
SCHEMBL27731268 0.76 ICMT (0.52) LMNA
SCHEMBL27751707 0.74 MAPT (0.45) CNR2LMNAMAOBKDM4EALDH1A1

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
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN disclosed
CN-104870422-A Novel amine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-08-26 CN disclosed