SCHEMBL21214747

SCHEMBL21214747

CCCC[C@H](CC)C1CNC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.36
GBA1 P04062 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21214748 1.00 DNM1 (0.36) DNM1GBA1ALDH1A1TDP1THRB
SCHEMBL20376199 0.94 DNM1 (0.34) DNM1GBA1
SCHEMBL22871230 0.91 DNM1 (0.39) DNM1GBA1ALDH1A1TDP1
SCHEMBL26323586 0.85 DNM1 (0.44) DNM1GBA1
SCHEMBL22400190 0.83 DNM1 (0.41) DNM1GBA1THRBTSHR
SCHEMBL21911258 0.83 DNM1 (0.41) DNM1GBA1THRBTSHR
SCHEMBL21725511 0.83 DNM1 (0.41) DNM1GBA1THRBTSHR
SCHEMBL21912150 0.83 DNM1 (0.41) DNM1GBA1THRBTSHR
SCHEMBL13285534 0.81 CPN1 (0.38)
SCHEMBL11926006 0.81

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-2019147862-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2019-08-01 WO disclosed