SCHEMBL9429926

SCHEMBL9429926

CC=CC(=O)N(c1ccc(OC(F)(F)F)cc1)C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.44
SLC6A2 P23975 9/20 0.44
SLC6A3 Q01959 5/20 0.44
HTR2C P28335 1/20 0.43
EPHX1 P07099 1/20 0.41
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 1/20 0.40
TACR1 P25103 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
MC4R P32245 1/20 0.37
SSTR1 P30872 2/20 0.37
SSTR4 P31391 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9429122 0.86 TRPM8 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL9429217 0.86 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL9429417 0.83 ERCC5 (0.39) SLC6A4SLC6A2SLC6A3HTR2CEPHX1
SCHEMBL8379418 0.82 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL9428924 0.82 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL31041027 0.81 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2CEPHX1
SCHEMBL9429947 0.81 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL9428421 0.80 RAB9A (0.39) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL9428898 0.80 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL8377826 0.77 SLC6A3 (0.40) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed