SCHEMBL6468545

SCHEMBL6468545

CCCCOCCCN1CCc2cc(/C=C(/C)[N+](=O)[O-])cc(C#N)c21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.35
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL4560844 0.87 ADRA1D (0.36) FBP1LMNAMAPTMAPK1RAB9A
SCHEMBL4560843 0.87 ADRA1D (0.36) FBP1LMNAMAPTMAPK1RAB9A
SCHEMBL6468215 0.83 APOBEC3A (0.33) GAAMAPT
SCHEMBL12299771 0.73 ADRA1D (0.35)
SCHEMBL12966278 0.73 APOBEC3A (0.46) FBP1LMNAPOLBGAANPC1
SCHEMBL17516016 0.70 CRHR1 (0.35) LMNAGAAMAPT
SCHEMBL16166528 0.70 FBP1 (0.33) FBP1LMNAMAPT
SCHEMBL16166527 0.70 FBP1 (0.33) FBP1LMNAMAPT
SCHEMBL16166360 0.69 ADRA1D (0.35) NPC1MAPTMAPK1RAB9A
SCHEMBL4537574 0.69 TEAD3 (0.39)

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-2012062229-A1 A METHOD OF MANUFACTURING (-)-L-(3-HYDROXYPROPYL)-5-[(2R)-2-({2,2,2-TRIFLUOROETHOXY)- PHENOXYETHYL}AMINO)PROPYL]-2,3-DIHYDRO-LH-INDOLE-7-CARBOXAMIDE ZENTIVA, K.S. (CZ) 2012-05-18 WO disclosed