SCHEMBL8350518

SCHEMBL8350518

Fc1ccc([C@H]2[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)OCCN2Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.70
TACR3 P29371 2/20 0.66
TACR2 P21452 1/20 0.66
NR3C1 P04150 1/20 0.51
CYP3A4 P08684 1/20 0.51
FPR1 P21462 1/20 0.51
GPR183 P32249 1/20 0.51
OPRD1 P41143 1/20 0.51
GPR65 Q8IYL9 1/20 0.51
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL4428892 1.00 TACR1 (0.70) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL7026820 1.00 TACR1 (0.70) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL8353379 0.96 TACR1 (0.66) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL8353376 0.96 TACR1 (0.66) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL7022339 0.94 TACR1 (0.76) TACR1TACR3TACR2
SCHEMBL264224 0.94 TACR1 (0.76) TACR1TACR3TACR2
SCHEMBL264225 0.94 TACR1 (0.76) TACR1TACR3TACR2
SCHEMBL265029 0.90 TACR1 (0.59) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL265028 0.90 TACR1 (0.59) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL8151210 0.86 TACR1 (0.53) TACR1TACR3TACR2NR3C1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891875-A Morpholinyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1999-04-06 US disclosed