SCHEMBL17081980

SCHEMBL17081980

CCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCC2CC[C@H]1N2C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.47
KCNH2 Q12809 13/20 0.39
TACR1 P25103 9/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR2 P41597 4/20 0.37

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
SCHEMBL1096200 1.00 SLC6A9 (0.47) SLC6A9KCNH2TACR1MEN1KMT2A
SCHEMBL1095224 1.00 SLC6A9 (0.47) SLC6A9KCNH2TACR1MEN1KMT2A
SCHEMBL17081973 1.00 SLC6A9 (0.47) SLC6A9KCNH2TACR1MEN1KMT2A
SCHEMBL1096250 1.00 SLC6A9 (0.47) SLC6A9KCNH2TACR1MEN1KMT2A
SCHEMBL1096198 1.00 SLC6A9 (0.47) SLC6A9KCNH2TACR1MEN1KMT2A
SCHEMBL1096253 1.00 SLC6A9 (0.47) SLC6A9KCNH2TACR1MEN1KMT2A
SCHEMBL1094750 0.87 SLC6A9 (0.47) SLC6A9
SCHEMBL1095057 0.84 SLC6A9 (0.50) SLC6A9
SCHEMBL1096171 0.77 SLC6A9 (0.52) SLC6A9
SCHEMBL1095577 0.77 SLC6A9 (0.52) SLC6A9

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
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed