SCHEMBL4366275

SCHEMBL4366275

O=C1c2ccc(O)c(O)c2C(=O)N1C1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 4/20 0.44
CRBN Q96SW2 4/20 0.44
OPRM1 P35372 5/20 0.41
OPRK1 P41145 5/20 0.41
OPRL1 P41146 5/20 0.41
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 2/20 0.40
CHRNA7 P36544 1/20 0.39
TNF P01375 1/20 0.37
IL1B P01584 1/20 0.37
TBXA2R P21731 1/20 0.37
IKZF1 Q13422 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
OPRD1 P41143 2/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL4366273 1.00 DDB1 (0.44) DDB1CRBNOPRM1OPRK1OPRL1
SCHEMBL4373314 1.00 DDB1 (0.44) DDB1CRBNOPRM1OPRK1OPRL1
SCHEMBL4363986 0.93 CRBN (0.48) DDB1CRBNOPRM1TNFIL1B
SCHEMBL4362085 0.93 CRBN (0.48) DDB1CRBNOPRM1TNFIL1B
SCHEMBL4363944 0.93 CRBN (0.48) DDB1CRBNOPRM1TNFIL1B
SCHEMBL13952251 0.88 DDB1 (0.42) DDB1CRBNOPRM1OPRK1OPRL1
SCHEMBL14602355 0.83 OPRM1 (0.49) DDB1CRBNOPRM1OPRK1OPRL1
SCHEMBL1265932 0.81 OPRM1 (0.50) DDB1CRBNOPRM1OPRK1OPRL1
SCHEMBL30998388 0.81 OPRM1 (0.50) DDB1CRBNOPRM1OPRK1OPRL1
SCHEMBL1264462 0.81 OPRM1 (0.50) DDB1CRBNOPRM1OPRK1OPRL1

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
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO claimed
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO disclosed