SCHEMBL5026142

SCHEMBL5026142

O=C1CCCCC2CCCN12

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.48
NOS3 P29474 1/20 0.48
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL5832697 0.98 NOS3 (0.47) NOS1NOS3DPP4DPP8DPP9
SCHEMBL19271810 0.95 NOS3 (0.43) NOS1NOS3DPP4DPP8DPP9
SCHEMBL868782 0.93 NOS3 (0.42) NOS1NOS3DPP4DPP8DPP9
SCHEMBL1954285 0.93 NOS3 (0.42) NOS1NOS3DPP4DPP8DPP9
SCHEMBL6088399 0.93 NOS3 (0.42) NOS1NOS3DPP4DPP8DPP9
SCHEMBL8031217 0.93 NOS3 (0.42) NOS1NOS3DPP4DPP8DPP9
SCHEMBL33526075 0.93 NOS3 (0.42) NOS1NOS3DPP4DPP8DPP9
SCHEMBL10427141 0.93 NOS3 (0.42) NOS1NOS3DPP4DPP8DPP9
SCHEMBL867932 0.93 NOS3 (0.42) NOS1NOS3DPP4DPP8DPP9
SCHEMBL491780 0.93 NOS3 (0.42) NOS1NOS3DPP4DPP8DPP9

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
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP claimed
CN-118804917-A STAT modulators and uses thereof 瑞克鲁迪克斯制药股份有限公司 2024-10-18 CN disclosed