SCHEMBL14679403

SCHEMBL14679403

CCCCOc1c(NCCC)nc(N(C)C)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RECQL P46063 1/20 0.36
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
NPC1 O15118 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CHRNA7 P36544 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL10102028 0.89 HDAC3 (0.38) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL10107545 0.85 TLR8 (0.34) CYP3A4CYP2D6NPC1TLR7
SCHEMBL10107617 0.84 FAAH (0.39) FAAHMAPTTSHRLMNACYP1A2
SCHEMBL10107486 0.84 LMNA (0.41) FAAHMAPTTSHRLMNACYP1A2
SCHEMBL10107487 0.80 MAPT (0.39) FAAHMAPTTSHRLMNACYP1A2
SCHEMBL16015533 0.78 LMNA (0.36) FAAHMAPTTSHRLMNACYP1A2
SCHEMBL10107544 0.78 F2 (0.34) FAAHMAPTTSHRLMNACYP1A2
SCHEMBL10107473 0.76 LMNA (0.43) FAAHMAPTTSHRLMNACYP1A2
SCHEMBL14679438 0.75 MCHR1 (0.37) FAAHMAPTTSHRLMNACYP1A2
SCHEMBL10107474 0.73 LMNA (0.44) FAAHMAPTTSHRLMNACYP1A2

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
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
EP-2427190-B1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2013-09-18 EP disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed