SCHEMBL9740195

SCHEMBL9740195

Cc1ccc(S(=O)(=O)OCC2CCN(CCCc3ccc4ccccc4c3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
HTR2A P28223 3/20 0.43
HTR7 P34969 3/20 0.43
HTR6 P50406 3/20 0.43
SLC6A4 P31645 2/20 0.43
CCR4 P51679 1/20 0.43
HTR1A P08908 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ABCB1 P08183 1/20 0.42
KCNA3 P22001 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40

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 0.80 KDM2B (0.43) SLC6A4HTR1AABCB1CA12CA1
SCHEMBL9738921 0.79 HTR1A (0.48) SLC6A4HTR1ASIGMAR1ABCB1LMNA
SCHEMBL8540875 0.77 HTR6 (0.54) DRD2HTR6LMNASMN1; SMN2DRD4
SCHEMBL8540877 0.77 HTR6 (0.54) DRD2HTR6LMNASMN1; SMN2DRD4
SCHEMBL9207731 0.76 SIGMAR1 (0.43) HTR1ASIGMAR1DRD4HRH1ACHE
SCHEMBL9208592 0.74 HTR1A (0.50) SLC6A4HTR1ASIGMAR1KCNA3
SCHEMBL9739469 0.74 ABCB1 (0.55) SLC6A4HTR1ASIGMAR1ABCB1HTT
SCHEMBL5966607 0.74 CA12 (0.47) SLC6A4SIGMAR1LMNAPKMHTT
SCHEMBL19859670 0.74 CYP2D6 (0.53) DRD2HTR2APKMHTTDRD1
SCHEMBL29571633 0.74 CYP2D6 (0.53) DRD2HTR2APKMHTTDRD1

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