SCHEMBL21780852

SCHEMBL21780852

CCC(CNC)NC[C@@H](C)CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
CNR1 P21554 1/20 0.31
ADRA1A P35348 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ABCC3 O15438 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7775202 0.85 LMNA (0.36) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL20132590 0.83 LMNA (0.32) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL178422 0.79
SCHEMBL13020901 0.79
SCHEMBL26205525 0.78 LMNA (0.32) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL19074199 0.77
Hydrochloric Acid SCHEMBL25280389 0.76
Hydrochloric Acid SCHEMBL25280388 0.76
SCHEMBL19114630 0.76 TSHR (0.33) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL13999449 0.73 ALDH1A1 (0.40) TDP1SMN1; SMN2

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
EP-2909197-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-03-04 EP disclosed