SCHEMBL25416151

SCHEMBL25416151

CSc1ccc2c(c1)c(CCN)c(C)n2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
HTR7 P34969 3/20 0.38
SPR P35270 1/20 0.38
EGFR P00533 2/20 0.32
IGF1R P08069 2/20 0.32
FLT4 P35916 2/20 0.32
KDR P35968 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
FGFR1 P11362 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL19872643 0.81 EGFR (0.47) CYP1A2CYP3A4CYP2D6CYP2C19SPR
SCHEMBL10771285 0.80 PLA2G4A (0.40) CYP1A2CYP3A4CYP2D6CYP2C19SPR
SCHEMBL29206563 0.79 HTR2A (0.41) CYP1A2CYP3A4CYP2D6CYP2C19SPR
SCHEMBL4658499 0.79 SPR (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HTR7
SCHEMBL2999508 0.79 SPR (0.39) CYP1A2CYP3A4CYP2D6CYP2C19HTR7
SCHEMBL19064549 0.78 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL19064528 0.77 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL2701682 0.77 ADRB2 (0.56) CYP1A2CYP2D6CYP2C19HTR7SPR
SCHEMBL23608115 0.76 ADRB2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19SPR
SCHEMBL19064530 0.76 CYP1A2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313030-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS Terran Biosciences, Inc. (US) 2024-02-07 EP claimed
WO-2024006984-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. (US) 2024-01-04 WO claimed
WO-2023081892-A1 ANALOGS OF N,N,N-TRIMETHYL-4-PHOSPHORYLOXYTRYPTAMINE TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed