SCHEMBL13844808

SCHEMBL13844808

CC[C@H]1C[C@@H](NC(N)=O)CCN1Cc1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.43
▸ KCNH2 Q12809 5/20 0.43
▸ CCR3 P51677 4/20 0.41
▸ CCR1 P32246 3/20 0.41
▸ CXCR6 O00574 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SSTR5 P35346 3/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL13844668 0.85 LTA4H (0.62) LTA4HKCNH2
SCHEMBL12677338 0.81 LTA4H (0.54) LTA4HKCNH2CCR3CCR1CXCR6
SCHEMBL1902462 0.80 CXCR6 (0.53) LTA4HCXCR6MEN1KMT2A
SCHEMBL12222587 0.80 CXCR6 (0.53) LTA4HCXCR6MEN1KMT2A
SCHEMBL12642596 0.78 SIGMAR1 (0.43) LTA4HNPC1
SCHEMBL12244452 0.78 LTA4H (0.73) LTA4HKCNH2
SCHEMBL1905665 0.74 LTA4H (0.46) LTA4HKCNH2CXCR6MEN1KMT2A
SCHEMBL1905658 0.74 LTA4H (0.46) LTA4HKCNH2CXCR6MEN1KMT2A
SCHEMBL1905662 0.74 LTA4H (0.46) LTA4HKCNH2CXCR6MEN1KMT2A
SCHEMBL12222541 0.72 KMT2A (0.58) LTA4HKCNH2CXCR6MEN1KMT2A

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
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 — — WO disclosed
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