SCHEMBL9428532

SCHEMBL9428532

CC=CC(=O)N(c1ccc(-c2ccc(C(F)(F)F)cc2)s1)C1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.40
CHEK1 O14757 2/20 0.37
CDK2AP1 O14519 1/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.35
PRF1 P14222 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM1A O60341 1/20 0.34
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL9429749 0.92 EP300 (0.35) MCHR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL9429798 0.89 CDK2AP1 (0.35) MCHR1CHEK1CDK2AP1SLC6A4SLC6A2
SCHEMBL9429417 0.89 ERCC5 (0.39) MCHR1CHEK1SLC6A4SLC6A2SLC6A3
SCHEMBL9429984 0.88 SLC6A4 (0.39) MCHR1CHEK1CDK2AP1SLC6A4SLC6A2
SCHEMBL9428671 0.87 MMP13 (0.33) SLC6A4SLC6A2SLC6A3KCNH2MMP13
SCHEMBL9429644 0.86 APP (0.37) MCHR1CHEK1MMP1MMP13
SCHEMBL9428841 0.85 HSD17B1 (0.38) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL9429376 0.85 MBTPS1 (0.36) MCHR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL9429101 0.84 CHRM1 (0.42) MCHR1CHEK1CDK2AP1SLC6A4SLC6A2
SCHEMBL9429795 0.84 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3KCNH2

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