SCHEMBL21552587

SCHEMBL21552587

Cc1ccc(S(=O)(=O)OCC[C@@H]2CC3(CCN(C(=O)O)CC3)CN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.33
CYP2D6 P10635 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
SCHEMBL21552627 1.00 GPR119 (0.36) GPR119L3MBTL1GABRDGABRA1GABRB1
SCHEMBL21552625 0.81 ALDH1A1 (0.34) L3MBTL1STAT3ALDH1A1HPGDNPSR1
SCHEMBL21552586 0.81 ALDH1A1 (0.34) L3MBTL1STAT3ALDH1A1HPGDNPSR1
SCHEMBL23364110 0.81 ALDH1A1 (0.34) L3MBTL1STAT3ALDH1A1HPGDNPSR1
SCHEMBL23364356 0.80 GPR119 (0.36) GPR119L3MBTL1STAT3ALDH1A1HPGD
SCHEMBL23364540 0.80 GPR119 (0.36) GPR119L3MBTL1STAT3ALDH1A1HPGD
SCHEMBL2389377 0.76 ALDH1A1 (0.45) GPR119STAT3ALDH1A1KDM4ECYP2D6
SCHEMBL23364149 0.75 CYP2D6 (0.37) L3MBTL1STAT3ALDH1A1HPGDNPSR1
SCHEMBL23364148 0.75 CYP2D6 (0.37) L3MBTL1STAT3ALDH1A1HPGDNPSR1
SCHEMBL23364538 0.75 HTR7 (0.52)

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-3790859-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE Temple University - Of The Commonwealth System of Higher Education (US) 2021-03-17 EP disclosed
WO-2019217890-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-11-14 WO disclosed