SCHEMBL7986251

SCHEMBL7986251

O=C1CCC2NC=CC=C2N1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 12/20 0.33
DDB1 Q16531 11/20 0.33
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
OPRM1 P35372 1/20 0.30
IKZF3 Q9UKT9 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL30961504 0.81 CRBN (0.32) CRBN
SCHEMBL444955 0.69
SCHEMBL208133 0.68
SCHEMBL18397956 0.68
SCHEMBL33371399 0.67 CRBN (0.33) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL248663 0.64 DDB1 (0.33) CRBNDDB1
SCHEMBL6196078 0.61 CRBN (0.35) CRBN
SCHEMBL10620948 0.60 CRBN (0.42) CRBNDDB1
SCHEMBL16397715 0.60
SCHEMBL2138420 0.60 CRBN (0.34) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103288824-A Tetrahydropyridopyridone derivative as well as preparation method and application thereof UNIV SHANGHAI 2013-09-11 CN disclosed
US-6265406-B1 VIRICIDES DUPONT PHARMACEUTICALS COMPANY 2001-07-24 US disclosed
US-6090821-A ENZYME INHIBITORS; VIRICIDES E. I. DUPONT DE NEMOURS AND COMPANY (US) 2000-07-18 US disclosed