SCHEMBL9055828

SCHEMBL9055828

O=C1C=C2NC(=O)CCC2CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.37
DDB1 Q16531 17/20 0.37
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
OPRM1 P35372 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11880678 0.72 OR51E2 (0.32) CRBNESR2
SCHEMBL2974249 0.72 CRBN (0.32) CRBNDDB1ESR2IKZF3
SCHEMBL12473611 0.72 CRBN (0.32) CRBNDDB1
SCHEMBL9731788 0.71 MAPT (0.34) CRBNDDB1
SCHEMBL7098448 0.69 CRBN (0.36) CRBNDDB1
SCHEMBL6163559 0.69 ESR2 (0.32) ESR2
SCHEMBL33371399 0.67 CRBN (0.33) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL68773 0.67 CRBN (0.33) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL9056440 0.66 DDB1 (0.30) CRBNDDB1
SCHEMBL9239478 0.66 CRBN (0.37) CRBNDDB1IKZF3

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-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO disclosed