SCHEMBL23377490

SCHEMBL23377490

Cc1cc(O[C@@H]2C[C@H](C)N(Cc3nc4c(cc3F)OCCO4)C2)c2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.38
HCRTR1 O43613 1/20 0.38
HTR1D P28221 7/20 0.33
NCF1 P14598 3/20 0.33
HTR1A P08908 5/20 0.31
HTR1B P28222 5/20 0.31
OGA O60502 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL23377819 0.89
SCHEMBL23377485 0.86 BTK (0.30) OGA
SCHEMBL23377619 0.85 OGA (0.34) OGA
SCHEMBL23377793 0.84 GRIN1 (0.32) OGA
SCHEMBL23377474 0.81 OGA (0.33) OGA
SCHEMBL23377477 0.81 OGA (0.34) OGA
SCHEMBL23377478 0.81 OGA (0.34) OGA
SCHEMBL23377610 0.81 OGA (0.32) OGA
SCHEMBL23377815 0.81 OGA (0.32) OGA
SCHEMBL23377618 0.81 OGA (0.34) OGA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021094312-A1 PYRROLIDINE AND BICYCLOHETEROARYL CONTAINING OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-05-20 WO disclosed