Sugi Predict

Sugi Predict / Compounds / SCHEMBL4732375

SCHEMBL4732375

SCHEMBL4732375

COc1ccc(-c2cccc(C(=O)NCCC(c3ccc4ccccc4c3)N(C)C)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 16/20 0.65
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ FYN P06241 1/20 0.50

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
SCHEMBL4731066 0.92 UTS2R (0.63) UTS2RALDH1A1
SCHEMBL4730712 0.92 UTS2R (0.61) UTS2RSMN1; SMN2
SCHEMBL4733409 0.92 UTS2R (0.61) UTS2RSMN1; SMN2
SCHEMBL4730440 0.89 UTS2R (0.65) UTS2R
SCHEMBL4731222 0.88 UTS2R (0.64) UTS2RMAPK1KDM4EALDH1A1HPGD
SCHEMBL4730705 0.87 UTS2R (0.65) UTS2RMAPK1KDM4EALDH1A1HPGD
SCHEMBL4732669 0.86 UTS2R (0.60) UTS2RSMN1; SMN2
SCHEMBL4731254 0.86 UTS2R (0.60) UTS2RSMN1; SMN2
SCHEMBL4731255 0.85 UTS2R (0.56) UTS2R
SCHEMBL4729682 0.84 UTS2R (0.64) UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057543-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-05-15 — — WO claimed
WO-2008057543-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-05-15 — — WO disclosed