SCHEMBL7599268

SCHEMBL7599268

O=C(NCc1ccccn1)OC1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK14 Q16539 1/20 0.42
POLB P06746 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7596777 0.84 HTT (0.41) SMN1; SMN2LMNAHTTMAPK14POLB
SCHEMBL7599929 0.84 TP53 (0.39) SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL6770164 0.82 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL7596873 0.81 HPGD (0.44) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL7600206 0.81 PDK2 (0.39) LMNA
SCHEMBL7596505 0.80 POLB (0.41) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL7595652 0.79 PDK2 (0.41) L3MBTL1
SCHEMBL7596021 0.78 HDAC1 (0.45) RAB9ANPC1KMT2AHTTHPGD
SCHEMBL7599607 0.78 NPC1 (0.46) RAB9ANPC1KMT2ALMNAHTT
SCHEMBL7599983 0.78 PDK2 (0.37) SMN1; SMN2RAB9AKMT2AHPGDMEN1

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