SCHEMBL19234733

SCHEMBL19234733

CCc1ccc(NC(=O)[C@@H](N)CCCCN)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.60
▸ SPHK1 Q9NYA1 6/20 0.60
▸ SPHK2 Q9NRA0 1/20 0.55
▸ S1PR1 P21453 5/20 0.51
▸ S1PR3 Q99500 5/20 0.51
▸ S1PR4 O95977 3/20 0.51
▸ S1PR5 Q9H228 3/20 0.51
▸ S1PR2 O95136 1/20 0.51
▸ MMP2 P08253 2/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ TERT O14746 3/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ CHEK1 O14757 1/20 0.47
▸ GNAI3 P08754 1/20 0.47
▸ GNAO1 P09471 1/20 0.47
▸ GNAI1 P63096 1/20 0.47

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
SCHEMBL13258710 0.87 LTA4H (0.62) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL20715656 0.86 LTA4H (0.58) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL26464130 0.85 LTA4H (0.60) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL17424310 0.83 SPHK1 (0.51) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL23656874 0.83 LTA4H (0.43) LTA4HSPHK1SPHK2MMP2TERT
SCHEMBL17637516 0.82 LTA4H (0.56) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL17661962 0.82 LTA4H (0.56) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL19234501 0.82 SPHK1 (0.53) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL13820164 0.82 LTA4H (0.70) LTA4HSPHK1MMP2MMP9TERT
SCHEMBL370590 0.82 CRHBP (0.59) SPHK1SPHK2S1PR1S1PR3S1PR4

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-2017136943-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2017-08-17 — — WO disclosed
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