SCHEMBL172704

SCHEMBL172704

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
CNR1 P21554 1/20 0.52
ADRA1A P35348 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ABCC3 O15438 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A4 P31645 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13996013 0.87 LMNA (0.40) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL515659 0.86 LMNA (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL1199682 0.85
SCHEMBL4730828 0.83 LMNA (0.48) LMNACNR1ADRA1ATDP1KDM4E
Hydrochloric Acid SCHEMBL4348851 0.82 ABCC3 (0.64) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL11801813 0.81 LMNA (0.43) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL165685 0.80
SCHEMBL22751916 0.80 LMNA (0.44) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL11800200 0.78 LMNA (0.41) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL172646 0.77 LMNA (0.40) 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