SCHEMBL7674083

SCHEMBL7674083

COc1c(C#N)cccc1C[O]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
NPBWR1 P48145 1/20 0.37
HTR2A P28223 3/20 0.37
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20231243 0.87 TSHR (0.42) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL7717027 0.82 TSHR (0.38) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL7674087 0.82 TSHR (0.41) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL6736896 0.80 POLB (0.47) TSHRALDH1A1MAPTGAAPOLB
SCHEMBL16599724 0.76 MAPT (0.44) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL26513174 0.76 DYRK1A (0.42) TSHRALDH1A1MAPTGAAPOLB
SCHEMBL483553 0.74 CYP19A1 (0.46) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL10070159 0.73 TSHR (0.61) TSHRALDH1A1MAPTGAAPOLB
SCHEMBL338999 0.73 POLB (0.50) ALDH1A1NPC1RAB9AGAAPOLB
SCHEMBL30934831 0.73 POLB (0.50) ALDH1A1NPC1RAB9AGAAPOLB

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-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed