SCHEMBL14458017

SCHEMBL14458017

O=C1CCC(c2ccc(-c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc3)cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
GRIN2B Q13224 1/20 0.42
KCNH2 Q12809 3/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GRM2 Q14416 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
PTGER4 P35408 1/20 0.39
S1PR5 Q9H228 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SLC6A4 P31645 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
PTPRZ1 P23471 1/20 0.37

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
SCHEMBL4148437 0.89 GRIN2B (0.49) GRIN2BGRM2MMP2MMP9L3MBTL1
SCHEMBL5889322 0.89 GRIN2B (0.49) GRIN2BGRM2MMP2MMP9L3MBTL1
SCHEMBL5620504 0.85 GRIN2B (0.46) GRIN2BDDB1CRBNL3MBTL1
SCHEMBL14458013 0.85 EGFR (0.49) KCNH2DDB1CRBN
SCHEMBL13701090 0.80 KCNH2 (0.55) KCNH2GSTP1
SCHEMBL14458018 0.79 CRBN (0.40) DDB1CRBN
SCHEMBL13945021 0.78 PDE4A (0.40) GRIN2BKCNH2DDB1CRBNMMP14
SCHEMBL14474703 0.78 PDE4A (0.40) GRIN2BKCNH2DDB1CRBNMMP14
SCHEMBL14063609 0.73 DRD2 (0.40) GRIN2B
SCHEMBL27928981 0.72 HTT (0.51) CRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed