SCHEMBL6648342

SCHEMBL6648342

CCCC1(C(=O)NCc2ccc(NC(=O)C3(CCC)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
RORC P51449 2/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
NAMPT P43490 1/20 0.41
MTTP P55157 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL6648328 0.86 PPIB (0.44) MTTP
SCHEMBL6648015 0.81 MTTP (0.46) MTTP
SCHEMBL6648511 0.76 MTTP (0.42) MTTP
SCHEMBL6648561 0.76 HTR1A (0.48) NPC1RAB9AMEN1TP53KMT2A
SCHEMBL6648101 0.75 EPHX2 (0.52) HPGDSMN1; SMN2
SCHEMBL5863883 0.73 SMN1; SMN2 (0.42) TP53SMN1; SMN2MTTP
SCHEMBL6648420 0.73 PDK2 (0.45) MTTP
SCHEMBL6647392 0.71 TRPV1 (0.53) MTTP
SCHEMBL6187511 0.71 THRB (0.50) NPC1RAB9AMAPTMTTP
SCHEMBL6766560 0.70 POLB (0.45) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904262-B1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-04-21 EP claimed
EP-0904262-A4 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2000-10-04 EP claimed
EP-0904262-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-31 EP claimed
WO-1997026240-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-24 WO claimed
EP-0904262-B1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-04-21 EP disclosed
US-6472414-B1 Conformationally restricted aromatic inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY 2002-10-29 US disclosed