SCHEMBL4729679

SCHEMBL4729679

COc1ccc(-c2ccc(C(=O)NCCC(c3ccc(Cl)cc3)N(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.61
OPRM1 P35372 3/20 0.53
OPRD1 P41143 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL4731502 0.92 UTS2R (0.55) UTS2RNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4731084 0.90 UTS2R (0.60) UTS2ROPRM1OPRD1ALDH1A1MAPT
SCHEMBL4730705 0.90 UTS2R (0.65) UTS2RALDH1A1SMN1; SMN2HPGD
SCHEMBL4730847 0.87 UTS2R (0.58) UTS2RNPC1RAB9ASMN1; SMN2
SCHEMBL4728770 0.84 UTS2R (0.63) UTS2ROPRM1NPC1
SCHEMBL4731066 0.84 UTS2R (0.63) UTS2ROPRM1OPRD1ALDH1A1NPC1
SCHEMBL4731770 0.83 UTS2R (0.62) UTS2R
SCHEMBL6093300 0.81 ALDH1A1 (0.69) UTS2RALDH1A1NPC1L3MBTL1
SCHEMBL4733066 0.81 UTS2R (0.60) UTS2R
SCHEMBL4731222 0.80 UTS2R (0.64) UTS2ROPRM1OPRD1ALDH1A1SMN1; SMN2

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