SCHEMBL4604856

SCHEMBL4604856

O=C(NS(=O)(=O)CC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1cc2cccc(Cl)c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.42
HTR3A P46098 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 2/20 0.39
F10 P00742 7/20 0.38
F2 P00734 1/20 0.38
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PRMT5 O14744 1/20 0.36

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
SCHEMBL4605200 0.87 PRMT5 (0.39) CHRNA7HTR3AHDAC3HDAC4HDAC1
SCHEMBL5640235 0.87 F10 (0.48) CHRNA7HTR3AHDAC3HDAC4HDAC1
SCHEMBL4602805 0.84 F10 (0.38) LMNAF10F2PRMT5MAPT
SCHEMBL4603648 0.84 LMNA (0.41) CHRNA7LMNAF10RAB9AHPGD
SCHEMBL4603427 0.74 F10 (0.39) LMNAF10F2RAB9APRMT5
SCHEMBL4593963 0.74 F10 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5637612 0.73 F10 (0.51) CHRNA7HTR3AF10RAB9APRMT5
SCHEMBL5640224 0.73 METTL3 (0.45) CHRNA7LMNAF10RAB9AHPGD
SCHEMBL4594596 0.73 LMNA (0.39) LMNAF10RAB9AHPGDTSHR
SCHEMBL4593238 0.71 KLKB1 (0.42) LMNAF10PRMT5MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed