SCHEMBL18059155

SCHEMBL18059155

COC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2Cc2cccc(C(=O)N(C)CCN3CCOCC3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
DRD4 P21917 1/20 0.43
JMJD6 Q6NYC1 2/20 0.40
CASR P41180 4/20 0.40
ALDH1A1 P00352 1/20 0.37
EIF2AK2 P19525 1/20 0.36
SMYD2 Q9NRG4 2/20 0.36
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PRKDC P78527 1/20 0.35
KDM5B Q9UGL1 2/20 0.35
KDM5A P29375 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL46675 0.86 DRD4 (0.43) MRGPRX4DRD4JMJD6CASRALDH1A1
SCHEMBL2731240 0.86 CASR (0.44) MRGPRX4DRD4JMJD6CASRALDH1A1
SCHEMBL46674 0.79 KDM5A (0.43) DRD4CASRSMYD2KDM1AHDAC1
SCHEMBL18059160 0.78 BRAF (0.40) SMYD2KDM1AHDAC1
SCHEMBL18059165 0.77 CHRM3 (0.45) SMYD2
SCHEMBL19595482 0.77 RAF1 (0.42) DRD4ALDH1A1
SCHEMBL46836 0.77 CNR2 (0.42) DRD4ALDH1A1SMYD2KDM1AHDAC1
SCHEMBL40023 0.76 ALDH1A1 (0.56) MRGPRX4DRD4CASRALDH1A1PRKDC
SCHEMBL18484260 0.75 MAPK14 (0.41) MRGPRX4DRD4ALDH1A1
SCHEMBL6001362 0.75 SLC34A2 (0.48) KDM1AHDAC1

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-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed