SCHEMBL7052416

SCHEMBL7052416

Cc1c(C(N)=O)oc2c(C(=O)NCCCN3CCN(c4cc(F)ccc4OCC(F)(F)F)CC3)cccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.55
ADRA1A P35348 6/20 0.55
ADRA1B P35368 6/20 0.55
HTR1A P08908 5/20 0.55
DRD3 P35462 2/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
SLC6A4 P31645 3/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL7051595 0.95 ADRA1A (0.57) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL7050376 0.93 ADRA1D (0.63) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7047931 0.89 HTR1A (0.59) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7050369 0.89 HTR1A (0.72) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7683339 0.83 ADRA1A (0.74) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7051161 0.83 ADRA1D (0.64) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7048055 0.82 HTR1A (0.53) ADRA1DADRA1AADRA1BHTR1AHTR2A
SCHEMBL7678716 0.82 HTR1A (0.81) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL7054044 0.81 HTR1A (0.69) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL8875596 0.79 HTR1A (0.86) 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 4 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
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 US disclosed