SCHEMBL6665276

SCHEMBL6665276

COc1cccc(CCC(N)(C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.53
GRM3 Q14832 1/20 0.53
TAS2R14 Q9NYV8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TMEM97 Q5BJF2 2/20 0.46
PKM P14618 1/20 0.45
AKR1C3 P42330 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MMP13 P45452 1/20 0.42
BMP1 P13497 1/20 0.42
PTGER1 P34995 1/20 0.42

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
SCHEMBL3398503 0.75 BMP1 (0.52) TAS2R14L3MBTL1CA1CA2CA9
SCHEMBL6341748 0.74 GRM2 (0.47) GRM2GRM3CA1CA2CA7
SCHEMBL27925870 0.73 GRM2 (0.58) GRM2GRM3TAAR1CHRM2CHRM1
SCHEMBL28026558 0.73 SMN1; SMN2 (0.49) TAS2R14L3MBTL1CA9PKMMMP13
SCHEMBL28026557 0.73 SMN1; SMN2 (0.49) TAS2R14L3MBTL1CA9PKMMMP13
SCHEMBL7539405 0.73 PKM (0.50) TAS2R14L3MBTL1CA1CA2CA7
SCHEMBL6963146 0.73 BCHE (0.58) TAS2R14L3MBTL1CA1CA2CA7
SCHEMBL2761358 0.73 HTT (0.55) PKMMMP13
SCHEMBL28246110 0.72 GRM2 (0.57) GRM2GRM3TMEM97TAAR1CHRM2
SCHEMBL3397090 0.72 ALDH1A1 (0.62) TAS2R14CA1CA2CA9BMP1

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
EP-1409468-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-04-21 EP disclosed
WO-2002018327-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2002-03-07 WO disclosed