SCHEMBL7316014

SCHEMBL7316014

CC(C)(C)NC(=O)N1CCN(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.54
HTR1D P28221 6/20 0.51
HTR1B P28222 4/20 0.51
HTR1A P08908 2/20 0.51
HTR1F P30939 2/20 0.51
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
SLC6A4 P31645 1/20 0.47
CCR2 P41597 1/20 0.46

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
SCHEMBL4671603 0.85 HSD11B1 (0.56) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4674039 0.85 SLC6A4 (0.50) HTR1BHTR1ASLC6A4
SCHEMBL7316005 0.83 SLC6A4 (0.48) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4670881 0.81 HSD11B1 (0.46) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL18324763 0.79 KDM4E (0.69) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4673262 0.79 HSD11B1 (0.64) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4674153 0.78 HSD11B1 (0.60) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL5340537 0.78 HSD11B1 (0.68) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL8109656 0.78 OPRM1 (0.68) HSD11B1HTR1BHTR1AOPRM1OPRK1
SCHEMBL4673535 0.77 OPRM1 (0.56) HSD11B1HTR1BHTR1AOPRM1OPRK1

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-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed