SCHEMBL10830005

SCHEMBL10830005

CCC1OCc2c1cnc(C)c2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.39
ADRA2B P18089 4/20 0.39
ADRA2C P18825 4/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX3 P56373 1/20 0.39
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
PDXK O00764 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.31
AOX1 Q06278 1/20 0.30

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
SCHEMBL10842038 0.88 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10732292 0.79 KDM4E (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10841497 0.78 DRD1 (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13998247 0.75 KDM4E (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9751410 0.75 KDM4E (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11563119 0.74 KDM4E (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10830702 0.73 CYP2D6 (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
Cicletanine SCHEMBL637073 0.71 MEN1 (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
Cicletanine SCHEMBL49794 0.71 MEN1 (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
Cicletanine SCHEMBL6060344 0.71 MEN1 (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4569938-A Diuretic, antihypertensive and antihistaminic 7-carboxymethoxy-furo-(3,4-c)-pyridine derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1986-02-11 US disclosed
US-4383998-A Furo-(3,4-c)-pyridine derivatives and their pharmaceutical use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1983-05-17 US disclosed