SCHEMBL9428792

SCHEMBL9428792

Cc1cccc(C)c1NC(=O)CN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ADRB1 P08588 2/20 0.49
CYP3A4 P08684 2/20 0.49
ADRA2A P08913 2/20 0.49
CYP2D6 P10635 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
ADRA1A P35348 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2B P41595 2/20 0.49
KCNH2 Q12809 2/20 0.49
LMNA P02545 2/20 0.49
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49

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 SCHEMBL9428577 0.99 ALOX15 (0.50) ALOX15MEN1KMT2AADRB1CYP3A4
SCHEMBL2327539 0.81 ALDH1A1 (0.64) ALOX15MEN1KMT2AADRB1CYP3A4
SCHEMBL9429935 0.80 MAPT (0.57) MEN1KMT2ACYP3A4CYP2D6LMNA
SCHEMBL6261397 0.79 ALOX15 (0.74) ALOX15MEN1KMT2AADRB1CYP3A4
SCHEMBL9384406 0.76 LMNA (0.61) MEN1KMT2ACYP2D6LMNACYP1A2
SCHEMBL26007622 0.76 ALDH1A1 (0.58) ALOX15MEN1KMT2AADRB1CYP3A4
SCHEMBL8556384 0.76 MEN1 (0.60) ALOX15MEN1KMT2AADRB1CYP3A4
Pyrrocaine SCHEMBL25718 0.76 MEN1 (0.70) ALOX15MEN1KMT2AADRB1CYP3A4
SCHEMBL7435500 0.75 ALDH1A1 (0.57) ALOX15MEN1KMT2AADRB1CYP3A4
SCHEMBL9429073 0.75 ALOX15 (0.50) ALOX15MEN1KMT2ACYP3A4CYP2D6

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed