SCHEMBL7050376

SCHEMBL7050376

Cc1c(C(N)=O)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)cccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.63
ADRA1A P35348 6/20 0.63
ADRA1B P35368 6/20 0.63
HTR1A P08908 5/20 0.63
DRD3 P35462 3/20 0.49
FAAH O00519 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL7052416 0.93 ADRA1D (0.55) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7051595 0.93 ADRA1A (0.57) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL7678716 0.89 HTR1A (0.81) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7047931 0.88 HTR1A (0.59) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7047929 0.84 HTR1A (0.74) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL8874517 0.83 HTR1A (0.77) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7050369 0.83 HTR1A (0.72) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7683339 0.83 ADRA1A (0.74) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7054044 0.81 HTR1A (0.69) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL8877282 0.81 HTR1A (0.73) ADRA1DADRA1AADRA1BHTR1ADRD3

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