SCHEMBL4731084

SCHEMBL4731084

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.60
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 5/20 0.54
OPRM1 P35372 3/20 0.54
OPRD1 P41143 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 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
SCHEMBL4729679 0.90 UTS2R (0.61) UTS2RNPC1ALDH1A1OPRM1OPRD1
SCHEMBL4731222 0.90 UTS2R (0.64) UTS2RALDH1A1OPRM1OPRD1SMN1; SMN2
SCHEMBL4730453 0.87 NPC1 (0.60) UTS2RNPC1SMN1; SMN2RAB9ALMNA
SCHEMBL4730847 0.86 UTS2R (0.58) UTS2RNPC1SMN1; SMN2RAB9ATP53
SCHEMBL4731066 0.85 UTS2R (0.63) UTS2RNPC1ALDH1A1OPRM1OPRD1
SCHEMBL4731281 0.84 UTS2R (0.62) UTS2RNPC1OPRM1OPRD1SMN1; SMN2
SCHEMBL4731502 0.81 UTS2R (0.55) UTS2RNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL4730705 0.80 UTS2R (0.65) UTS2RALDH1A1SMN1; SMN2HPGD
SCHEMBL4732375 0.77 UTS2R (0.65) UTS2RALDH1A1SMN1; SMN2HPGD
SCHEMBL4734176 0.77 UTS2R (0.60) UTS2RNPC1SMN1; SMN2RAB9ALMNA

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