SCHEMBL15028540

SCHEMBL15028540

O=C1c2ccccc2C(=O)N1[C@H]1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.57
DDB1 Q16531 5/20 0.57
IKZF3 Q9UKT9 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CHRM2 P08172 1/20 0.57
OPRM1 P35372 1/20 0.57
CYP1A2 P05177 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSD11B1 P28845 2/20 0.45
CHRNA7 P36544 1/20 0.44
TNF P01375 1/20 0.43
IL1B P01584 1/20 0.43
TBXA2R P21731 1/20 0.43
IKZF1 Q13422 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
P2RX7 Q99572 2/20 0.42

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
SCHEMBL30703123 1.00 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL2557698 1.00 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL1264462 0.90 OPRM1 (0.50) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30998388 0.90 OPRM1 (0.50) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL1265932 0.90 OPRM1 (0.50) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL2557414 0.84 CRBN (0.65) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL1265365 0.83 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30998375 0.83 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL1265364 0.83 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL14602355 0.82 OPRM1 (0.49) CRBNDDB1IKZF3ALDH1A1CHRM2

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
EP-2788345-B1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARM SPA (IT) 2020-06-10 EP disclosed
WO-2013083206-A1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 WO disclosed