SCHEMBL7051599

SCHEMBL7051599

COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(NC(=O)OC(C)(C)C)oc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.61
ADRA1D P25100 3/20 0.61
ADRA1A P35348 3/20 0.61
ADRA1B P35368 3/20 0.61
DRD2 P14416 4/20 0.51
DRD3 P35462 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 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
Water SCHEMBL7051533 0.99 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7050907 0.87 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL7051161 0.86 ADRA1D (0.64) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL7052077 0.86 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL8875767 0.86 HTR1A (0.77) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7050096 0.85 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL8875520 0.85 HTR1A (0.84) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL7051822 0.85 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL7049769 0.85 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL8876595 0.84 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BDRD2

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