SCHEMBL5593263

SCHEMBL5593263

Cc1cccc(-c2c(F)cccc2C(=O)[C@@H]2CCCN(C(C)(C)C)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.39
REN P00797 3/20 0.39
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5592323 0.89 POLB (0.42) GRM5RENGAAKDM2BALDH1A1
SCHEMBL3571520 0.84 KAT6A (0.46) RENGAARAB9AALDH1A1MEN1
SCHEMBL3565628 0.84 KAT6A (0.46) RENGAARAB9AALDH1A1MEN1
SCHEMBL3885007 0.79 GAA (0.38) GAARAB9AKDM2BALDH1A1MEN1
SCHEMBL5318682 0.76 KDM2B (0.49) GAARAB9AKDM2BALDH1A1MEN1
SCHEMBL5593533 0.76 REN (0.42) GRM5RENL3MBTL1
SCHEMBL5593253 0.73 KDM2B (0.43) GAARAB9AKDM2BALDH1A1MEN1
SCHEMBL2847273 0.73 POLB (0.47) GRM5KDM2BALDH1A1MEN1KMT2A
SCHEMBL2850274 0.73 KAT6A (0.49) RENALDH1A1MEN1KMT2A
SCHEMBL2850273 0.73 KAT6A (0.49) RENALDH1A1MEN1KMT2A

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-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed