SCHEMBL14416433

SCHEMBL14416433

CC[C@H](c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1)N(C)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.50
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
PGR P06401 1/20 0.50
CTSD P07339 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
PGA5 P0DJD9 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CTSE P14091 1/20 0.50
GABRA1 P14867 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
HTR2A P28223 1/20 0.50
AGTR1 P30556 1/20 0.50
CCKAR P32238 1/20 0.50
ADRA1A P35348 1/20 0.50
PTGS2 P35354 1/20 0.50
PPARG P37231 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
SCHEMBL14416440 0.83 MLNR (0.52) OPRD1MLNRNR1I2ABCB11PGR
SCHEMBL14420639 0.80 MLNR (0.51) OPRD1MLNRNR1I2ABCB11PGR
SCHEMBL14416439 0.78 MLNR (0.49) OPRD1MLNRNR1I2ABCB11PGR
SCHEMBL14416416 0.78 MLNR (0.49) OPRD1MLNRNR1I2ABCB11PGR
SCHEMBL14416437 0.76 PPARG (0.47) OPRD1MLNRNR1I2ABCB11PGR
SCHEMBL8366958 0.74 KIT (0.50) OPRD1MLNRNR1I2ABCB11PGR
SCHEMBL5597568 0.72 KIT (0.53) OPRD1MLNRNR1I2ABCB11PGR
SCHEMBL7761716 0.72 MAPT (0.53) KITCYP1A2CYP3A4KMT2AL3MBTL1
SCHEMBL14416436 0.71 MLNR (0.46) OPRD1MLNRNR1I2ABCB11PGR
SCHEMBL7405472 0.71 MLNR (0.90) OPRD1MLNRNR1I2ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed
WO-2007103740-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2007-09-13 WO disclosed