SCHEMBL7597615

SCHEMBL7597615

CCCCNC(=O)OC1(CCCCBr)c2ccccc2Oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
BCHE P06276 1/20 0.38
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL7597716 0.82 MTTP (0.35)
SCHEMBL7595652 0.81 PDK2 (0.41)
SCHEMBL6770322 0.81 KMT2A (0.46) KMT2AMAPTMEN1HTTGAA
SCHEMBL7599789 0.80 ALOX5 (0.32) MAPTALOX5
SCHEMBL7596964 0.78 P2RX4 (0.33)
SCHEMBL7597632 0.76 ALDH1A1 (0.44) KMT2AMEN1GAAHPGDSMN1; SMN2
SCHEMBL7600206 0.76 PDK2 (0.39)
SCHEMBL27732353 0.76 KMT2A (0.39) KMT2AMAPTMEN1TSHRALDH1A1
SCHEMBL7603026 0.75 DRD3 (0.51)
SCHEMBL7600360 0.74 LMNA (0.38) MAPTSMN1; SMN2ALDH1A1

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