SCHEMBL8331376

SCHEMBL8331376

CCCC(=O)N(C)C1CC1c1cc(F)ccc1I

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
APOL1 O14791 1/20 0.33
SLC6A4 P31645 3/20 0.33
OPRM1 P35372 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
SCHEMBL8335020 0.88 KDM1A (0.44) MEN1KMT2ADPP4DPP9OPRM1
SCHEMBL8333857 0.86 F2R (0.37) MEN1KMT2AKCNE1KCNQ1DPP4
SCHEMBL8330324 0.84 MTNR1B (0.39)
SCHEMBL8716292 0.82 KDM1A (0.35) DPP4DPP9
SCHEMBL8331482 0.78 HTR2C (0.43) OPRM1
SCHEMBL8330266 0.77 KDM1A (0.46) OPRM1
SCHEMBL8331862 0.76 APP (0.38) SLC6A4
SCHEMBL8331864 0.76 APP (0.38) SLC6A4
SCHEMBL9019896 0.74 MTNR1B (0.49)
SCHEMBL8096217 0.74 MTNR1B (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US claimed
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US disclosed