SCHEMBL7708889

SCHEMBL7708889

COC(=O)C1=Cc2c(C)cccc2CCC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RCE1 Q9Y256 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ACHE P22303 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL7708902 0.85 L3MBTL1 (0.36) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL7714514 0.79 MEN1 (0.38) DRD2MEN1KMT2ACA12CA9
SCHEMBL7708957 0.74 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2
SCHEMBL11469260 0.66 PTGS1 (0.36) MEN1KMT2AMTNR1AMTNR1BL3MBTL1
SCHEMBL403705 0.65 CA12 (0.64) MEN1KMT2ACA1CA2CA12
SCHEMBL415651 0.64 HTR2C (0.39) DRD2
SCHEMBL30989570 0.62 KCNH2 (0.44)
SCHEMBL7712477 0.62 MTNR1B (0.38) DRD2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL16942508 0.62 ACHE (0.42) DRD2ACHE
SCHEMBL7708915 0.62 ACHE (0.36) MAPTACHEEPHX1

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-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed