SCHEMBL3666729

SCHEMBL3666729

COc1ccccc1CNC(=O)c1cc(-c2cnc(C(F)(F)F)cc2C#N)c(Cl)cc1OCCNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
RCE1 Q9Y256 1/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
CARM1 Q86X55 1/20 0.38

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
SCHEMBL3343027 0.91 HPGD (0.41) HPGDALDH1A1GAAPKMHTT
SCHEMBL3336661 0.90 HPGD (0.41) HPGDALDH1A1GAAPKMHTT
SCHEMBL3343265 0.89 HPGD (0.43) HPGDALDH1A1GAAPKMHTT
SCHEMBL3338208 0.86 RECQL (0.40) HPGDALDH1A1GAAPKMHTT
SCHEMBL3337435 0.85 HPGD (0.41) HPGDALDH1A1GAAPKMHTT
SCHEMBL3336676 0.85 MTNR1A (0.39) HPGDALDH1A1GAAMTNR1AMTNR1B
SCHEMBL3336934 0.84 HPGD (0.40) HPGDALDH1A1GAAPKMHTT
SCHEMBL3338203 0.81 CHRM4 (0.37) HPGDALDH1A1KDM4EPOLBCYP1A2
SCHEMBL3338976 0.80 EZH2 (0.38) HPGDALDH1A1POLBCYP1A2CYP3A4
SCHEMBL3672797 0.80 ROCK2 (0.39) HPGDCYP1A2CYP3A4CYP2D6CYP2C9

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
EP-2155194-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2010-02-24 EP disclosed
WO-2008124610-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO disclosed