SCHEMBL5311547

SCHEMBL5311547

O=C(NCc1ccc(F)cc1)c1ccc(N2CCCN(C(=O)c3ccccc3F)C2=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
PRKAA2 P54646 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CXCR3 P49682 1/20 0.42
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MAPK8 P45983 2/20 0.40
HPGDS O60760 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5306200 0.85 DCTPP1 (0.50) LMNAPRKAA2ALDH1A1
SCHEMBL5311551 0.84 PRKAA2 (0.43) LMNAPRKAA2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5309649 0.83 SCD (0.57) SMN1; SMN2ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL5307062 0.83 SCD (0.51) SMN1; SMN2ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL5314065 0.82 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL5312604 0.82 SCD (0.41) LMNASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL5314055 0.81 SMN1; SMN2 (0.51) PRKAA2SMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL5307475 0.81 CA2 (0.41) SMN1; SMN2ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL5312323 0.80 SCD (0.48) SMN1; SMN2ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL5309151 0.77 SCD (0.45) SMN1; SMN2ALDH1A1KDM4EMAPK1GAA

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-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed