SCHEMBL7598802

SCHEMBL7598802

COc1c(C(=O)c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 3/20 0.36
HTR1A P08908 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7962078 0.87 RAB9A (0.35) MEN1KMT2AGAARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7482468 0.87 RAB9A (0.35) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL7478475 0.85 CBX7 (0.38) MEN1KMT2ARAB9ASMN1; SMN2USP2
SCHEMBL7781332 0.83 KMT2A (0.39) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL7476401 0.83 MEN1 (0.35) MEN1KMT2AHTR1ARAB9ASMN1; SMN2
SCHEMBL7964896 0.82 PPARG (0.43) HTR6MEN1KMT2AGAAPPARG
SCHEMBL7340721 0.82 AVPR2 (0.39) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL7475353 0.82 MEN1 (0.35) MEN1KMT2ARAB9ASMN1; SMN2USP2
SCHEMBL7480515 0.81 AVPR2 (0.35) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL7486482 0.81 RAB9A (0.35) MEN1KMT2AGAARAB9ASMN1; SMN2

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
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed