SCHEMBL3970294

SCHEMBL3970294

COc1ccc(Sc2ccc(C3CCN(C(=O)O)C3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.46
MGLL Q99685 2/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
HSD11B1 P28845 3/20 0.43
MAPT P10636 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.39
HTR2C P28335 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL1015893 0.86 HTT (0.48) PROKR1MGLLALDH1A1MAPTHPGD
SCHEMBL13210964 0.80 HTR2C (0.39) PROKR1MGLLHSD11B1CHRM2CHRM1
SCHEMBL4562753 0.78 ALDH1A1 (0.47) ALDH1A1LMNARAB9AMAPTHPGD
SCHEMBL1014709 0.72 MTNR1A (0.47) PROKR1ALDH1A1CHRM2CHRM1HPGD
SCHEMBL1018430 0.72 MMP1 (0.47) PROKR1ALDH1A1CHRM2CHRM1HPGD
SCHEMBL2636579 0.70 HSD11B1 (0.61) ALDH1A1LMNARAB9AHSD11B1MAPT
SCHEMBL23326213 0.69 PTGDR2 (0.57) PROKR1ALDH1A1LMNAHSD11B1HPGD
SCHEMBL3962210 0.69 MEN1 (0.47) RAB9AMAPTNPC1
SCHEMBL4777118 0.69 GAA (0.49) MGLLALDH1A1LMNARAB9AHSD11B1
SCHEMBL1014844 0.69 STS (0.53) ALDH1A1CHRM2CHRM1HPGD

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-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed