SCHEMBL9223979

SCHEMBL9223979

CCC(C)[C@H](NC(C)CN(C)c1ccc(F)cc1)C(=O)NC(=O)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
GFER P55789 1/20 0.37
FAAH O00519 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 3/20 0.34
CYP1A2 P05177 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
NFKB1 P19838 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
SCHEMBL9229856 0.91 ALDH1A1 (0.39) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL8771995 0.85 MEN1 (0.40) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL8771946 0.78 SLC1A3 (0.40) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL9364406 0.71 FAAH (0.42) MEN1KMT2AFAAHSMN1; SMN2CYP2C9
SCHEMBL8771990 0.69 GPR88 (0.38) TDP1ALDH1A1SMN1; SMN2GPR88
SCHEMBL5256444 0.66 SLC1A3 (0.61) MEN1KMT2AALDH1A1FAAHCYP2C9
SCHEMBL5256446 0.66 SLC1A3 (0.61) MEN1KMT2AALDH1A1FAAHCYP2C9
SCHEMBL8607221 0.66 SLC1A3 (0.61) MEN1KMT2AALDH1A1FAAHCYP2C9
SCHEMBL9222095 0.65 MTNR1A (0.48) MEN1KMT2AALDH1A1MAPTFAAH
SCHEMBL28232199 0.64 CYP1A2 (0.54) ALDH1A1MAPTFAAHCYP2C9CYP2C19

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-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed