SCHEMBL749034

SCHEMBL749034

C#CCN1CC(=O)N2[C@@H](CCCC)C(=O)N(CCc3ccc(C(F)(F)F)cc3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL749376 0.94 CYP3A4 (0.42) CYP3A4POLB
SCHEMBL10225128 0.92 MEN1 (0.46) CYP3A4POLB
SCHEMBL747981 0.90 CYP3A4 (0.42) CYP3A4
SCHEMBL748063 0.90 POLB (0.51) CYP3A4POLB
SCHEMBL745346 0.89 CYP3A4 (0.41) CYP3A4
SCHEMBL745189 0.89 CYP3A4 (0.43) CYP3A4
SCHEMBL748294 0.89 CYP3A4 (0.43) CYP3A4
SCHEMBL10225141 0.88 MEN1 (0.47) CYP3A4
SCHEMBL747113 0.88 CYP3A4 (0.45) CYP3A4
SCHEMBL749803 0.88 CYP3A4 (0.45) CYP3A4

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-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed