SCHEMBL8324973

SCHEMBL8324973

COc1ccc([CH]C(C)(N)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
LTA4H P09960 1/20 0.47
SLC6A2 P23975 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
G6PC1 P35575 1/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 2/20 0.41
MMP13 P45452 2/20 0.41
MMP9 P14780 1/20 0.41
EP300 Q09472 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CA4 P22748 1/20 0.39
PIM1 P11309 1/20 0.39
TRPM8 Q7Z2W7 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
SCHEMBL8323792 0.82 SLC6A2 (0.50) TRPA1SLC6A2TAAR1ALDH1A1LMNA
SCHEMBL8321757 0.81 SLC6A2 (0.48) TRPA1SLC6A2TAAR1MAPTALDH1A1
SCHEMBL2671508 0.78 LTA4H (0.60) LTA4HSLC6A2TAAR1ALDH1A1KMT2A
SCHEMBL8323288 0.78 TAAR1 (0.46) SLC6A2TAAR1MAPTALDH1A1LMNA
SCHEMBL8323216 0.78 SLC6A2 (0.46) SLC6A2TAAR1MAPTALDH1A1KDM4E
SCHEMBL5305755 0.76 LTA4H (0.52) LTA4HSLC6A2TAAR1ALDH1A1MMP1
SCHEMBL17964410 0.73 LTA4H (0.53) LTA4HSLC6A2TAAR1ALDH1A1LMNA
SCHEMBL8324902 0.73 MAOB (0.49) TRPA1SLC6A2TAAR1MAPTLMNA
SCHEMBL8976499 0.72 LTA4H (0.52) LTA4HSLC6A2TAAR1LMNAKMT2A
Hydrochloric Acid SCHEMBL11263398 0.72 LTA4H (0.52) LTA4HSLC6A2TAAR1ALDH1A1SIGMAR1

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-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed