SCHEMBL7051595

SCHEMBL7051595

Cc1c(C(N)=O)oc2c(C(=O)NCCCN3CCN(c4ccc(F)cc4OCC(F)(F)F)CC3)cccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.57
ADRA1B P35368 15/20 0.57
ADRA1D P25100 14/20 0.57
HTR1A P08908 5/20 0.57

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 0.95 ADRA1D (0.55) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7050376 0.93 ADRA1D (0.63) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7683339 0.89 ADRA1A (0.74) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7047931 0.87 HTR1A (0.59) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7050369 0.83 HTR1A (0.72) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7678716 0.82 HTR1A (0.81) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7051161 0.80 ADRA1D (0.64) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7048055 0.80 HTR1A (0.53) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL8876489 0.79 HTR1A (0.86) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7050780 0.79 HTR1A (0.55) ADRA1AADRA1BADRA1DHTR1A

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