SCHEMBL172646

SCHEMBL172646

CCN[C@@H](CC)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CNR1 P21554 1/20 0.40
ADRA1A P35348 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCC3 O15438 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 2/20 0.35
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL13995993 0.88 ALDH1A1 (0.33) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL24332028 0.87 SLC6A4 (0.32) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL22751916 0.81 LMNA (0.44) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL25449101 0.81 SLC6A4 (0.34) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL172644 0.81 LMNA (0.39) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL14417047 0.81 LMNA (0.39) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL23844645 0.79 LMNA (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL7965035 0.79 LMNA (0.37) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL8367371 0.79 LMNA (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL2309143 0.79 ALDH1A1 (0.39) LMNACNR1ADRA1ATDP1KDM4E

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-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed