SCHEMBL4848290

SCHEMBL4848290

NCC(=O)NCC1CCCN(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
LTA4H P09960 1/20 0.55
TP53 P04637 1/20 0.54
CCR2 P41597 3/20 0.53
BCHE P06276 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
DDR1 Q08345 1/20 0.50
FAAH O00519 1/20 0.50
ACHE P22303 1/20 0.50
ACKR3 P25106 1/20 0.49
CCR1 P32246 1/20 0.48
CCR3 P51677 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL4840961 0.93 TP53 (0.62) GAATP53CCR2BCHEFAAH
SCHEMBL4848447 0.85 CCR2 (0.66) TP53CCR2BCHEFAAHACHE
Hydrochloric Acid SCHEMBL4847979 0.84 CCR2 (0.65) TP53CCR2BCHEFAAHACHE
SCHEMBL4848703 0.82 CCR2 (0.79) LTA4HCCR2BCHEKMT2AMEN1
SCHEMBL4854395 0.79 GAA (0.59) GAALTA4HTP53BCHEKMT2A
SCHEMBL6267504 0.76 CYP2D6 (0.72) GAALTA4HKMT2ANPC1
SCHEMBL1543281 0.76 BCHE (0.68) GAABCHEKMT2AMEN1ACHE
SCHEMBL4578600 0.76 CHRM5 (0.54) LTA4HCCR3POLB
SCHEMBL3614165 0.76 CCR3 (0.50) KMT2AMEN1FAAHCCR3POLB
SCHEMBL27579145 0.76 LTA4H (0.52) GAALTA4HTP53BCHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed