SCHEMBL13974287

SCHEMBL13974287

CNCCCC(=O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.44
GNAO1 P09471 5/20 0.44
GNAI1 P63096 5/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
GLA P06280 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL22123105 0.95 GNAI3 (0.47) GNAI3GNAO1GNAI1ATML3MBTL1
SCHEMBL12352492 0.89 TPSAB1 (0.41) GNAI3GNAO1GNAI1ATMITGB3
SCHEMBL12435378 0.83 ATM (0.65) ATML3MBTL1NPC1MEN1KMT2A
SCHEMBL4566692 0.81 ATM (0.63) ATML3MBTL1NPC1MEN1KMT2A
SCHEMBL16756662 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1ATML3MBTL1
SCHEMBL10337915 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1ATML3MBTL1
SCHEMBL9415769 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1ATML3MBTL1
SCHEMBL9415827 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1ATML3MBTL1
SCHEMBL2998705 0.79 L3MBTL1 (0.60) GNAI3GNAO1GNAI1ATML3MBTL1
SCHEMBL20904110 0.78 ATM (0.52) GNAI3GNAO1GNAI1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
WO-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 WO disclosed