SCHEMBL9428657

SCHEMBL9428657

Cn1c(=O)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SIGMAR1 Q99720 4/20 0.49
DRD2 P14416 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
ADORA2A P29274 1/20 0.42

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
SCHEMBL9429332 0.85 DRD2 (0.53) LMNASIGMAR1DRD2HTR1AHTR2A
SCHEMBL9389552 0.84 KCNJ1 (0.59) LMNASIGMAR1KDM4EALDH1A1PKM
SCHEMBL9428430 0.81 SMN1; SMN2 (0.60) LMNASMN1; SMN2HTR1AKDM4EALDH1A1
SCHEMBL9389285 0.77 KCNJ1 (0.60) LMNASIGMAR1
SCHEMBL9428545 0.75 HTR1A (0.56) LMNASIGMAR1DRD2SMN1; SMN2HTR1A
SCHEMBL9428251 0.74 DRD2 (0.48) SIGMAR1DRD2MEN1KMT2AHTR1A
SCHEMBL10502864 0.73 SIGMAR1 (0.66) SIGMAR1DRD2MEN1KMT2AHTR1A
SCHEMBL9428246 0.72 MEN1 (0.52) SIGMAR1DRD2MEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL9428320 0.71 MEN1 (0.51) SIGMAR1DRD2MEN1KMT2AHTR1A
SCHEMBL9384677 0.70 HRH3 (0.54) LMNASMN1; SMN2HTR1ADRD3KDM4E

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 5 patents. 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
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-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed