SCHEMBL3720396

SCHEMBL3720396

CC(C)Oc1cccc(Oc2ccc3cc(CCN)ccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.50
TAAR1 Q96RJ0 2/20 0.45
ACHE P22303 3/20 0.44
MAOB P27338 3/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP1 Q9C000 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL3720748 0.90 CYP1A2 (0.43) FFAR4TAAR1MEN1GAAKMT2A
SCHEMBL6963018 0.82 TAAR1 (0.66) FFAR4TAAR1ACHEMAOB
SCHEMBL3717509 0.81 FFAR4 (0.47) FFAR4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL14157348 0.81 TAAR1 (0.64) FFAR4TAAR1ACHEMAOB
SCHEMBL3717012 0.81 TRPM8 (0.49) TAAR1SMN1; SMN2
SCHEMBL3721222 0.79 CES2 (0.50) FFAR4TAAR1ALDH1A1GAAMAPT
SCHEMBL3717666 0.75 FFAR4 (0.44) FFAR4ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3720620 0.75 ADRA2A (0.41) FFAR4TAAR1GAAMAPTSMN1; SMN2
SCHEMBL7521694 0.75 TAAR1 (0.61) TAAR1MAOBGAA
SCHEMBL9501777 0.75 HTR1D (0.43) FFAR4MEN1MITFALDH1A1GAA

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed