SCHEMBL6211403

SCHEMBL6211403

CC(CCNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.37
CCR5 P51681 8/20 0.37
LMNA P02545 1/20 0.37
RORC P51449 2/20 0.37
DPP4 P27487 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
CTSK P43235 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
SMYD3 Q9H7B4 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
SCHEMBL6213622 0.92 LMNA (0.38) NAMPTLMNADPP4HSD17B10ELOVL6
SCHEMBL6210134 0.92 LMNA (0.43) NAMPTCCR5LMNAHSD17B10ELOVL6
SCHEMBL6212436 0.91 LMNA (0.38) CCR5LMNAHSD17B10ELOVL6SMYD3
SCHEMBL6211558 0.91 LMNA (0.38) LMNAHSD17B10ELOVL6SMYD3
SCHEMBL6213162 0.90 CTSK (0.42) LMNAHSD17B10ELOVL6CTSKSMYD3
SCHEMBL6209651 0.90 LMNA (0.42) NAMPTLMNADPP4ELOVL6
SCHEMBL6211570 0.90 SLC6A5 (0.38) NAMPTCCR5LMNARORCSLC6A5
SCHEMBL6210622 0.90 ELOVL6 (0.40) NAMPTCCR5LMNAHSD17B10ELOVL6
SCHEMBL6211355 0.89 LMNA (0.36) LMNAHSD17B10ELOVL6SMYD3
SCHEMBL6211427 0.89 ALDH1A1 (0.36) LMNAHSD17B10CTSKSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed