SCHEMBL9739714

SCHEMBL9739714

COc1ccc2c(CCN3CCC(COS(=O)(=O)c4ccc(C)cc4)C3)cccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
HTR1A P08908 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR6 P50406 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL9204729 0.83 KDM2B (0.43) HTR1ASLC6A4
SCHEMBL9738921 0.79 HTR1A (0.48) MEN1KMT2AHTR1ASLC6A4SIGMAR1
SCHEMBL9216372 0.78 MEN1 (0.42) MEN1KMT2AHTR1ASLC6A4DRD1
SCHEMBL9740252 0.78 KMT2A (0.38) MEN1KMT2APKMDRD4RAB9A
SCHEMBL9739252 0.73 KMT2A (0.42) MEN1KMT2ARAB9A
SCHEMBL9215338 0.72 MEN1 (0.41) MEN1KMT2AHTR1ADRD2DRD1
SCHEMBL9739469 0.72 ABCB1 (0.55) HTR1ASLC6A4SIGMAR1
SCHEMBL9207731 0.72 SIGMAR1 (0.43) HTR1ADRD4SIGMAR1
SCHEMBL19859669 0.72 CYP2D6 (0.53) KMT2APKMDRD2DRD1DRD4
SCHEMBL19859670 0.72 CYP2D6 (0.53) KMT2APKMDRD2DRD1DRD4

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed