SCHEMBL12952972

SCHEMBL12952972

CCc1ccc(C(c2ccc(CN3CCC(c4ccc(F)nc4)CC3)cn2)N(C)C(=O)C(C)(C)O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.36
PRKAA2 P54646 5/20 0.36
PARP1 P09874 1/20 0.36
DRD2 P14416 3/20 0.34
ADRA1A P35348 2/20 0.34
KCNH2 Q12809 3/20 0.34
GPR119 Q8TDV5 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CCR5 P51681 3/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
CTSC P53634 2/20 0.32
CTSK P43235 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL1002977 0.93 DRD2 (0.38) PIK3CAPRKAA2PARP1DRD2ADRA1A
SCHEMBL1002976 0.93 DRD2 (0.38) PIK3CAPRKAA2PARP1DRD2ADRA1A
SCHEMBL1001395 0.81 DRD2 (0.38) PIK3CAPRKAA2PARP1DRD2ADRA1A
SCHEMBL1001396 0.81 DRD2 (0.38) PIK3CAPRKAA2PARP1DRD2ADRA1A
SCHEMBL1003096 0.77 DRD2 (0.39) PARP1DRD2ADRA1AKCNH2CCR5
SCHEMBL1003094 0.77 DRD2 (0.39) PARP1DRD2ADRA1AKCNH2CCR5
SCHEMBL1003017 0.76 ADRA1A (0.35) DRD2ADRA1ACCR5MCHR1
SCHEMBL1003018 0.76 ADRA1A (0.35) DRD2ADRA1ACCR5MCHR1
SCHEMBL1003710 0.72 DRD2 (0.42) DRD2ADRA1AKCNH2CCR5MCHR1
SCHEMBL1003708 0.72 DRD2 (0.42) DRD2ADRA1AKCNH2CCR5MCHR1

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
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed