SCHEMBL18082551

SCHEMBL18082551

COC1CCN(Cc2ccc(C)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.55
▸ ACHE P22303 2/20 0.51
▸ BACE1 P56817 2/20 0.51
▸ BCHE P06276 2/20 0.51
▸ SIGMAR1 Q99720 5/20 0.51
▸ DRD4 P21917 4/20 0.51
▸ TMEM97 Q5BJF2 4/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TEAD1 P28347 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL13285981 0.91 SIGMAR1 (0.62) LTA4HACHEBACE1BCHESIGMAR1
SCHEMBL12082512 0.90 ALDH1A1 (0.56) LTA4HACHEBACE1ALDH1A1LMNA
SCHEMBL12311 0.86 S1PR1 (0.51) LTA4HSIGMAR1DRD4TMEM97ALDH1A1
SCHEMBL1240977 0.86 LTA4H (0.54) LTA4HACHEBACE1BCHESIGMAR1
SCHEMBL1241949 0.86 LTA4H (0.54) LTA4HACHEBACE1BCHESIGMAR1
SCHEMBL4288563 0.86 LTA4H (0.54) LTA4HSIGMAR1ALDH1A1LMNA
SCHEMBL1240978 0.86 LTA4H (0.54) LTA4HACHEBACE1BCHESIGMAR1
SCHEMBL13343762 0.86 LTA4H (0.54) LTA4HSIGMAR1ALDH1A1LMNA
SCHEMBL4512639 0.85 LTA4H (0.60) LTA4HACHEBACE1BCHESIGMAR1
SCHEMBL3271398 0.85 LTA4H (0.60) LTA4HACHEBACE1BCHESIGMAR1

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
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 — — EP disclosed
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