SCHEMBL21780609

SCHEMBL21780609

Fc1ccc(C2CCCCO2)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.34
PDE1B Q01064 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SCN9A Q15858 2/20 0.33
ATM Q13315 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
CFTR P13569 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL1345745 0.95 ATM (0.37) L3MBTL1ATMKDM4ELMNACFTR
SCHEMBL9337391 0.83 HTR2A (0.41) PDE1CPDE1BL3MBTL1SCN9AATM
SCHEMBL21780613 0.81 KDM4E (0.44) PDE1CPDE1BL3MBTL1ATMGRIN2B
SCHEMBL20225794 0.80 KDM1A (0.43) PDE1CL3MBTL1SCN9AGRIN2BKDM4E
SCHEMBL20226132 0.80 KDM1A (0.43) PDE1CL3MBTL1SCN9AGRIN2BKDM4E
SCHEMBL20013058 0.78 HTR2A (0.42) L3MBTL1ATMKDM4ELMNACFTR
SCHEMBL13749069 0.78 HTR2A (0.42) L3MBTL1ATMKDM4ELMNACFTR
SCHEMBL21767418 0.76 SLC6A2 (0.30)
SCHEMBL31071982 0.76 SLC6A2 (0.30)
SCHEMBL15741269 0.76 HTR2C (0.40) LMNACYP2C9

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-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed