SCHEMBL7463598

SCHEMBL7463598

CC(C)n1cc(CCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
SLC6A4 P31645 9/20 0.52
DRD2 P14416 4/20 0.52
HTR1A P08908 9/20 0.51
HTR7 P34969 5/20 0.49
HTR6 P50406 3/20 0.49
HTR2A P28223 2/20 0.49
ADRA1D P25100 2/20 0.48
HTR1D P28221 1/20 0.47

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
Oxalic Acid SCHEMBL9049243 0.95 HTR1D (0.49) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL8111835 0.89 OPRM1 (0.57) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL7459131 0.89 CYP1A2 (0.56) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL7460288 0.89 OPRM1 (0.56) OPRM1OPRK1OPRL1SLC6A4DRD2
Hydrochloric Acid SCHEMBL7009951 0.89 OPRM1 (0.56) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL7459744 0.87 SLC6A4 (0.54) SLC6A4DRD2HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL9050891 0.86 ADRA1D (0.55) SLC6A4DRD2HTR7HTR2AADRA1D
Oxalic Acid SCHEMBL9048457 0.84 HTR1D (0.41) OPRM1OPRK1OPRL1DRD2HTR1A
Oxalic Acid SCHEMBL9046836 0.83 SLC6A4 (0.51) SLC6A4DRD2HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL9048755 0.83 OPRM1 (0.59) OPRM1OPRK1OPRL1SLC6A4DRD2

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-0708102-B1 5-HT1F agonists for the treatment of migraine LILLY CO ELI (US) 2002-12-11 EP disclosed
EP-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed