SCHEMBL9536870

SCHEMBL9536870

CCC(=O)N1CCC(=O)c2cc(Oc3ccc(Cl)cc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.40
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SRD5A1 P18405 1/20 0.38
NOTUM Q6P988 1/20 0.38
S1PR5 Q9H228 1/20 0.38
F2 P00734 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9535907 0.86 NOTUM (0.47) MAPTTHRBTP53CYP11B1CYP11B2
SCHEMBL9537960 0.84 TP53 (0.51) F10MAPTTHRBTP53ALDH1A1
SCHEMBL9537402 0.82 TP53 (0.42) MAPTTHRBTP53CYP11B1CYP11B2
SCHEMBL9540504 0.78 TP53 (0.44) MAPTTHRBTP53ALDH1A1NOTUM
SCHEMBL9540553 0.77 MAPT (0.47) MAPTTP53CYP11B1CYP11B2DRD2
SCHEMBL9540984 0.77 CYP11B1 (0.44) MAPTTHRBTP53CYP11B1CYP11B2
SCHEMBL11136938 0.76 NOTUM (0.47) TP53CYP11B1CYP11B2ALDH1A1NOTUM
SCHEMBL9537029 0.76 CYP11B1 (0.43) MAPTTHRBTP53CYP11B1CYP11B2
SCHEMBL9537808 0.76 TP53 (0.40) MAPTTP53CYP11B1CYP11B2ALDH1A1
SCHEMBL9540757 0.76 F10 (0.35) F10MAPTALDH1A1MAOAMAOB

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-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed