SCHEMBL7052077

SCHEMBL7052077

CNC(=O)c1oc2c(C(=O)NCCCN3CCN(c4cc(Cl)ccc4OC)CC3)cccc2c(=O)c1C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.64
ADRA1D P25100 3/20 0.64
ADRA1A P35348 3/20 0.64
ADRA1B P35368 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
DRD3 P35462 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7050907 0.93 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7051161 0.93 ADRA1D (0.64) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7049769 0.91 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7051822 0.91 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL8875767 0.88 HTR1A (0.77) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7050096 0.88 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL8875520 0.88 HTR1A (0.84) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL8876595 0.86 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7051599 0.86 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
Water SCHEMBL7051533 0.85 HTR1A (0.60) 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
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
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