SCHEMBL7279484

SCHEMBL7279484

O=C(N(CCCCCCBr)CCc1ccccc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.49
CES1 P23141 3/20 0.49
MLYCD O95822 4/20 0.45
HDAC1 Q13547 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5 P09917 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BAK1 Q16611 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL10540038 0.83 MTNR1A (0.44) MEN1KMT2A
SCHEMBL25301481 0.78 TDP1 (0.50) FAAHCES1MLYCDHDAC1NPC1
SCHEMBL6961364 0.75 MAOA (0.54) FAAHCES1MLYCDNPC1RAB9A
SCHEMBL14282039 0.74 TDP1 (0.46) FAAHCES1MLYCDNPC1RAB9A
SCHEMBL6463897 0.74 FAAH (0.54) FAAHCES1MLYCDALOX5SIGMAR1
SCHEMBL901839 0.72 REN (0.50) HDAC1MEN1KMT2AMAPTHDAC8
SCHEMBL6967760 0.72 RCE1 (0.49) FAAHCES1MLYCDHDAC1NPC1
SCHEMBL6956260 0.72 RCE1 (0.49) FAAHCES1MLYCDHDAC1NPC1
SCHEMBL7985986 0.72 MLYCD (0.54) FAAHCES1MLYCDALOX5SIGMAR1
SCHEMBL25047881 0.71 L3MBTL1 (0.47) HDAC1NPC1RAB9ATDP1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375668-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1990-06-27 EP disclosed
US-4868306-A Compounds FISONS PLC (GB) 1989-09-19 US disclosed
US-4791216-A Para ethyl amino phenol pharmaceutical compounds FISONS PLC (GB) 1988-12-13 US disclosed
US-4657929-A Compounds FISONS PLC (GB) 1987-04-14 US disclosed
EP-0142283-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1985-05-22 EP disclosed