SCHEMBL9310595

SCHEMBL9310595

Cn1c(N2CCN(CC(F)CCc3ccccc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH1 P35367 12/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL9310545 0.99 MEN1 (0.45) MEN1ALDH1A1KMT2AHRH1TAAR1
SCHEMBL9309825 0.86 ALDH1A1 (0.46) MEN1ALDH1A1KMT2AHRH1TAAR1
Hydrochloric Acid SCHEMBL9309600 0.85 ALDH1A1 (0.45) MEN1ALDH1A1KMT2AHRH1TAAR1
SCHEMBL9429643 0.83 MEN1 (0.55) MEN1ALDH1A1KMT2AHRH1TAAR1
Hydrochloric Acid SCHEMBL9428451 0.82 MEN1 (0.54) MEN1ALDH1A1KMT2AHRH1TAAR1
SCHEMBL9429307 0.81 SIGMAR1 (0.58) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9428701 0.80 SIGMAR1 (0.58) MEN1ALDH1A1KMT2AHRH1ADRA1D
Hydrochloric Acid SCHEMBL9429389 0.80 SIGMAR1 (0.56) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9310929 0.79 SLC6A3 (0.49) MEN1ALDH1A1KMT2AHRH1ADRA1D
Hydrochloric Acid SCHEMBL9429187 0.79 SIGMAR1 (0.57) MEN1ALDH1A1KMT2AHRH1ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308848-A Side effect reduction MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-05-03 US disclosed
EP-0452107-A1 Pyrimidinedione derivatives and antiarrythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-16 EP disclosed