SCHEMBL6849683

SCHEMBL6849683

c1ccc(NC2C3CC4CC(C3)CC2(Nc2ccccc2)C4)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.39
EPHX2 P34913 4/20 0.39
FAAH O00519 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6846880 0.86 LMNA (0.35) P2RX7EPHX2ALDH1A1MEN1LMNA
SCHEMBL31554993 0.75 MEN1 (0.34) P2RX7EPHX2ALDH1A1MEN1KMT2A
SCHEMBL138594 0.71 EPHX2 (0.56) P2RX7EPHX2FAAHALDH1A1MAPT
SCHEMBL1397748 0.70 EPHX2 (0.47) P2RX7EPHX2FAAHALDH1A1MAPT
SCHEMBL6533939 0.70 TRPA1 (0.38) P2RX7EPHX2DDB1CRBNALDH1A1
Hydrochloric Acid SCHEMBL27845477 0.70 EPHX2 (0.54) P2RX7EPHX2FAAHALDH1A1MEN1
SCHEMBL5672302 0.67 EPHX2 (0.56) EPHX2USP2ALDH1A1L3MBTL1LMNA
SCHEMBL2732462 0.66 HSD11B1 (0.44) P2RX7EPHX2
SCHEMBL28205291 0.65 EPHX2 (0.49) P2RX7EPHX2FAAH
SCHEMBL11152183 0.61 EPHX2 (0.53) P2RX7EPHX2FAAHALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777111-B1 HEAT ENDURANCE; LOW CRYSTALLINITY; EMPLOYING CONDENSED RING DERIVATIVE KABUSHIKI KAISHA CHUO KENKYUSHO (JP) 2004-08-17 US disclosed