SCHEMBL31053471

SCHEMBL31053471

CC(C)C1CCN(Nc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.43
▸ EPHX2 P34913 1/20 0.38
▸ OPRL1 P41146 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ OPRM1 P35372 3/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR1E P28566 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34

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
SCHEMBL30885149 0.79 ACHE (0.47) ACHEALDH1A1LMNAMEN1KMT2A
SCHEMBL31053522 0.77 TDP1 (0.38) ALDH1A1TDP1LMNACHRNB4CHRNA3
SCHEMBL31053640 0.76 HRH3 (0.45) ACHE
SCHEMBL4055295 0.76 ALDH1A1 (0.43) ALDH1A1TDP1LMNAMEN1MAPT
SCHEMBL30354927 0.75 L3MBTL3 (0.41) KMT2A
SCHEMBL22875089 0.73 ALDH1A1 (0.43) ACHEEPHX2OPRL1ALDH1A1TDP1
SCHEMBL8252174 0.72 ALDH1A1 (0.63) ALDH1A1TDP1LMNAMAPT
SCHEMBL1752645 0.72 KDM1A (0.50) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL1829575 0.72 KDM1A (0.46) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL12988320 0.72 L3MBTL1 (0.52) ACHEOPRL1ALDH1A1OPRM1OPRD1

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
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 — — CN disclosed
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