SCHEMBL172690

SCHEMBL172690

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.35
CNR1 P21554 1/20 0.35
ADRA1A P35348 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCC3 O15438 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
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
SCHEMBL19068174 1.00 SLC6A4 (0.38) SLC6A4TDP1LMNACNR1ADRA1A
SCHEMBL5932192 0.88 LMNA (0.38) SLC6A4TDP1LMNACNR1ADRA1A
SCHEMBL13995992 0.85 TDP1 (0.44) TDP1LMNAALDH1A1TSHRMAPK1
SCHEMBL104880 0.82
SCHEMBL25095029 0.81 SLC6A4 (0.37) SLC6A4TDP1
SCHEMBL13995972 0.81 LMNA (0.33) TDP1LMNACNR1ADRA1AKDM4E
SCHEMBL19116400 0.80 SLC6A4 (0.32) SLC6A4
Hydrochloric Acid SCHEMBL22575324 0.79 TDP1 (0.44) SLC6A4TDP1LMNACNR1ADRA1A
SCHEMBL21277057 0.79 SLC6A4 (0.36) SLC6A4TDP1
SCHEMBL7933710 0.79 LMNA (0.32) TDP1LMNACNR1ADRA1AKDM4E

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