SCHEMBL13412100

SCHEMBL13412100

C#CCN1CC(=O)N2[C@@H](CCCNC(=O)OCCC)C(=O)N(C3CCCC3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 18/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL745740 0.92 LMNA (0.41) CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL745494 0.91 LMNA (0.43) CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL749794 0.90 CYP3A4 (0.40) CYP3A4
SCHEMBL746725 0.90 CYP3A4 (0.40) CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL747373 0.89 LMNA (0.42) CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL764821 0.88 LMNA (0.44) CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL749781 0.84 LMNA (0.42) CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL12037544 0.84 CYP3A4 (0.43) CYP3A4
SCHEMBL12037545 0.84 LMNA (0.43) CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL747369 0.84 CLPP (0.45) CYP3A4LMNAHTTSMN1; SMN2

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
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 — — US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 — — US disclosed
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