SCHEMBL7983347

SCHEMBL7983347

NC(=O)C(c1c(C(F)(F)F)cccc1C(F)(F)F)N1CCC(CNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.34
P2RX7 Q99572 3/20 0.33
FAAH O00519 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.32
PIM1 P11309 2/20 0.32
SSTR4 P31391 2/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
IL1B P01584 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CHRM4 P08173 1/20 0.31
CNR1 P21554 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
Hydrochloric Acid SCHEMBL7985987 0.99 CNR2 (0.34) CNR2P2RX7FAAHBCHEACHE
SCHEMBL7971580 0.88 KCNH2 (0.35) CNR2P2RX7HTR4PIM1CHRM4
Hydrochloric Acid SCHEMBL7971809 0.87 KCNH2 (0.35) CNR2P2RX7HTR4PIM1CHRM4
SCHEMBL7983015 0.86 TPSAB1 (0.38) HTR4CKS1BSKP1SKP2HDAC3
SCHEMBL7986094 0.86 ADORA2A (0.34) CNR2HTR4CKS1BSKP1SKP2
Hydrochloric Acid SCHEMBL7989389 0.86 TPSAB1 (0.37) HTR4CKS1BSKP1SKP2HDAC3
Hydrochloric Acid SCHEMBL7989777 0.85 ADORA2A (0.34) CNR2HTR4CKS1BSKP1SKP2
SCHEMBL7983350 0.81 FAAH (0.38) CNR2FAAHBCHEACHECHRM4
Hydrochloric Acid SCHEMBL7972026 0.80 FAAH (0.37) CNR2FAAHBCHEACHECHRM4
SCHEMBL7989660 0.80 USP30 (0.38) CNR2HTR4CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed