SCHEMBL31473507

SCHEMBL31473507

CCCCCCOc1ccc(NC(=O)N(CC)[C@H]2CC[C@H](N)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.48
▸ S1PR3 Q99500 3/20 0.48
▸ FAAH O00519 13/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL31473508 0.74 S1PR1 (0.47) S1PR1S1PR3L3MBTL1
SCHEMBL31473519 0.74 S1PR1 (0.47) S1PR1S1PR3L3MBTL1
SCHEMBL9503837 0.73 ALDH1A1 (0.69) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL7759451 0.73 ALDH1A1 (0.69) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL5530025 0.73 ALDH1A1 (0.69) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL5221042 0.71 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL5215792 0.71 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL10769451 0.71 PTGES (0.58) FAAHMAPK1GAAL3MBTL1
SCHEMBL9885419 0.71 FAAH (0.68) FAAHGAAL3MBTL1
SCHEMBL5221933 0.71 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1

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
WO-2025061176-A1 CYCLOALKANE-SUBSTITUTED AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2025-03-27 — — WO disclosed
CN-119661404-A Cycloalkane substituted amine derivative, preparation method and application thereof 上海科技大学 2025-03-21 — — CN disclosed
Send feedback