SCHEMBL6649484

SCHEMBL6649484

O=C(NCc1ccccc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
MC4R P32245 1/20 0.54
KCNA5 P22460 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49

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
SCHEMBL21925532 0.83 HDAC3 (0.54) LMNAHDAC3HDAC4HDAC7HDAC8
SCHEMBL4669452 0.82 LMNA (1.00) LMNAHDAC3HDAC4HDAC7HDAC8
SCHEMBL9953442 0.81 KCNA5 (0.53) LMNAUSP2ALDH1A1HPGDMC4R
SCHEMBL9398200 0.81 HDAC3 (0.59) LMNAHDAC3HDAC4HDAC7HDAC8
SCHEMBL11800163 0.80 KCNA5 (0.55) LMNAALDH1A1MC4RKCNA5DRD2
SCHEMBL9959313 0.77 KCNA5 (0.48) LMNAUSP2ALDH1A1HPGDMC4R
SCHEMBL16492277 0.76 HDAC3 (0.58) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL6649148 0.76 HDAC3 (0.58) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL11166921 0.75 LMNA (0.56) LMNAUSP2ALDH1A1HPGDMC4R
SCHEMBL4597996 0.75 HDAC3 (0.56) LMNAHDAC3HDAC4HDAC7HDAC8

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 disclosed
US-6472414-B1 Conformationally restricted aromatic inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY 2002-10-29 US disclosed
EP-0904262-A4 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2000-10-04 EP disclosed
EP-0904262-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-31 EP disclosed
US-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 US disclosed
WO-1997026240-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-24 WO disclosed