SCHEMBL9428898

SCHEMBL9428898

CC=CC(=O)N(c1ccc(C(F)(F)F)cc1)C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 3/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
TACR1 P25103 2/20 0.38
HTR2A P28223 1/20 0.37
KCNH2 Q12809 2/20 0.37
MCHR1 Q99705 1/20 0.36
MLYCD O95822 1/20 0.35
CDK2AP1 O14519 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL9429217 0.93 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3TACR1KCNH2
SCHEMBL949410 0.83 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3TACR1HTR2A
SCHEMBL948457 0.83 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3TACR1HTR2A
SCHEMBL948455 0.83 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3TACR1HTR2A
SCHEMBL9429926 0.80 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3TRPM8TACR1
SCHEMBL8379418 0.80 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3TRPM8TACR1
SCHEMBL9428924 0.79 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3TRPM8KCNH2
SCHEMBL9429947 0.78 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL9429122 0.76 TRPM8 (0.51) SLC6A4SLC6A2SLC6A3TRPM8KCNH2
SCHEMBL9428532 0.76 MCHR1 (0.40) SLC6A4SLC6A2SLC6A3KCNH2MCHR1

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