SCHEMBL8876844

SCHEMBL8876844

Cc1ccc(S(=O)(=O)OCCN(C)S(=O)(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 5/20 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
SCHEMBL8876324 0.83 LMNA (0.45) LMNAALDH1A1KDM4ECYP1A2CHRM2
SCHEMBL8876331 0.82 ALDH1A1 (0.44) LMNAALDH1A1KDM4ECYP1A2CHRM2
SCHEMBL8877006 0.81 LMNA (0.48) LMNAALDH1A1KDM4ECYP1A2CHRM2
SCHEMBL8877514 0.77 LMNA (0.45) LMNAALDH1A1KDM4ECYP1A2CHRM2
SCHEMBL8876969 0.73 LMNA (0.47) LMNAALDH1A1KDM4ECYP1A2CHRM2
Hydrochloric Acid SCHEMBL8876767 0.72 HTR1A (0.61) LMNAALDH1A1KDM4ECYP1A2CHRM2
SCHEMBL8876520 0.71 HTR1A (0.64) LMNAALDH1A1CYP3A4HTR1ACYP2D6
SCHEMBL9567603 0.71 HTR1A (0.63) LMNAALDH1A1CYP3A4HTR1ACYP2D6
SCHEMBL8876472 0.71 LMNA (0.57) LMNAALDH1A1KDM4ECYP1A2CHRM2
SCHEMBL2336434 0.71 MAPT (0.46) LMNAMAPTSMN1; SMN2MEN1GLA

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-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
US-5403842-A Adrenergic blocking and antiserotonine agents; urogenital disorders including spasms of the urethral tract and prostrate problems RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-04-04 US disclosed
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed