SCHEMBL7899253

SCHEMBL7899253

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(NC(=O)c4cn(C)cn4)cc3)NC(=O)OC(C)(C)C)C2)c(C)c2cccc(F)c21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.32
ACKR3 P25106 1/20 0.32
KLK5 Q9Y337 1/20 0.31
PTPN1 P18031 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7900974 0.91 PABPC1 (0.32) PABPC1KLK5PTPN1
SCHEMBL2791534 0.91 MMP13 (0.34) PABPC1KLK5ALDH1A1LMNACYP3A4
SCHEMBL7897783 0.91 PABPC1 (0.33) PABPC1KLK5PTPN1
SCHEMBL7898847 0.89 MMP13 (0.35) PABPC1KLK5ALDH1A1LMNACYP3A4
SCHEMBL2790406 0.89 PABPC1 (0.32) PABPC1KLK5ALDH1A1LMNACYP3A4
SCHEMBL2790403 0.89 PABPC1 (0.32) PABPC1KLK5ALDH1A1LMNACYP3A4
SCHEMBL7893421 0.89 ACKR3 (0.33) ACKR3ALDH1A1
SCHEMBL7901258 0.88 PABPC1 (0.33) PABPC1ACKR3KLK5
SCHEMBL7900833 0.88 PABPC1 (0.34) PABPC1KLK5PTPN1ALDH1A1CYP2D6
SCHEMBL2791712 0.87 ALDH1A1 (0.33) PABPC1ALDH1A1LMNACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed