SCHEMBL8096479

SCHEMBL8096479

O=C(OCc1ccccc1)N1CCN(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.55
HTR1A P08908 3/20 0.49
HTR7 P34969 2/20 0.49
OPRM1 P35372 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRL1 P41146 3/20 0.48
HTR1D P28221 2/20 0.47
HTR1B P28222 1/20 0.47
ALDH1A1 P00352 1/20 0.46
BTK Q06187 1/20 0.46
SLC6A4 P31645 1/20 0.45
DRD2 P14416 1/20 0.45
HTR6 P50406 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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 0.83 HSD11B1 (0.56) HSD11B1HTR1AOPRM1OPRK1OPRL1
SCHEMBL8553210 0.83 OPRM1 (0.51) OPRM1OPRK1OPRL1ALDH1A1BTK
SCHEMBL4676594 0.80 SLC6A4 (0.53) OPRM1OPRK1OPRL1SLC6A4NPC1
SCHEMBL4671070 0.80 MMP1 (0.49) HSD11B1HTR1AHTR7OPRM1OPRK1
SCHEMBL4676088 0.79 SMN1; SMN2 (0.47) HTR1ABTKNPC1RAB9ASMN1; SMN2
SCHEMBL7444873 0.77 HSD11B1 (0.56) HSD11B1HTR1AHTR7OPRM1OPRK1
SCHEMBL5340537 0.76 HSD11B1 (0.68) HSD11B1HTR1AOPRM1OPRK1OPRL1
SCHEMBL4671108 0.76 JAK2 (0.45) HSD11B1OPRM1OPRK1OPRL1HTR1D
SCHEMBL10922885 0.76 HSD11B1 (0.66) HSD11B1HTR1AHTR7OPRM1OPRK1
SCHEMBL7316014 0.76 HSD11B1 (0.54) HSD11B1HTR1AOPRM1OPRK1OPRL1

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-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed