SCHEMBL7599954

SCHEMBL7599954

O=C(NCc1ccc(F)cc1F)OC1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
P2RX7 Q99572 6/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK5 O95279 1/20 0.38
KCNK17 Q96T54 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 4/20 0.36
BDKRB1 P46663 1/20 0.36
AKR1B1 P15121 1/20 0.35
PPARG P37231 1/20 0.34
RORC P51449 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
SCHEMBL7596505 0.85 POLB (0.41) MEN1KMT2A
SCHEMBL7593148 0.82 PDK2 (0.40) P2RX7PPARGRORC
SCHEMBL6771813 0.82 P2RX7 (0.48) KCNA5P2RX7KCNK3KCNK5KCNK17
SCHEMBL7596021 0.81 HDAC1 (0.45) MEN1KMT2A
SCHEMBL7599929 0.80 TP53 (0.39) MEN1KMT2A
SCHEMBL7594799 0.79 TAS1R3 (0.49) MEN1KMT2A
SCHEMBL7600206 0.78 PDK2 (0.39)
SCHEMBL7600948 0.77 MTTP (0.43)
SCHEMBL7599983 0.77 PDK2 (0.37) MEN1KMT2A
SCHEMBL7603446 0.77 HTR1A (0.46)

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-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed