SCHEMBL7048055

SCHEMBL7048055

Cc1c(C(N)=O)oc2c(C(=O)NCCCN3CCN(c4cc(Cl)ccc4OS(=O)(=O)C(F)(F)F)CC3)cccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
ADRA1D P25100 5/20 0.53
ADRA1A P35348 5/20 0.53
ADRA1B P35368 5/20 0.53
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2A P28223 9/20 0.43
HTR2C P28335 9/20 0.43
SLC6A4 P31645 9/20 0.43

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
SCHEMBL7052255 0.90 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7051161 0.89 ADRA1D (0.64) HTR1AADRA1DADRA1AADRA1BMEN1
Hydrochloric Acid SCHEMBL7054302 0.89 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7050780 0.86 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7050907 0.83 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL7051822 0.82 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL7052077 0.82 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL7052416 0.82 ADRA1D (0.55) HTR1AADRA1DADRA1AADRA1BHTR2A
SCHEMBL7049769 0.81 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL7049865 0.81 HTR1A (0.80) HTR1AADRA1DADRA1AADRA1BSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 EP claimed
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 US claimed
EP-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 EP disclosed
EP-1222183-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-17 EP disclosed
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 US disclosed
WO-2001029022-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-04-26 WO disclosed