SCHEMBL19540309

SCHEMBL19540309

CC(C)C(C)CCc1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL10203044 0.81 AAK1 (0.36) NAAAALDH1A1CYP1A2CYP2C19
SCHEMBL18647938 0.76 TRPA1 (0.31) NAAA
SCHEMBL19865660 0.75 CYP1A2 (0.53) ALDH1A1CYP1A2CYP2C19
SCHEMBL20224959 0.73 NAAA (0.40) NAAAALDH1A1CYP1A2CYP2C19
SCHEMBL14892201 0.70 NAAA (0.42) NAAA
SCHEMBL6164386 0.70 NAAA (0.38) NAAAALDH1A1
SCHEMBL10653192 0.68 NAAA (0.37) NAAA
SCHEMBL736789 0.67 — —
SCHEMBL20099892 0.67 THRB (0.39) NAAAALDH1A1CYP1A2CYP2C19
SCHEMBL17788484 0.67 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19

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
WO-2017189613-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-11-02 — — WO disclosed
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