SCHEMBL30801853

SCHEMBL30801853

O=C1[C@H]2CNCCN2CCN1c1cn(-c2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTR2C P28335 2/20 0.41
GLA P06280 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1D P28221 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR7 P34969 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL30801845 0.87 HTR2A (0.39) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL30801770 0.85 TAAR1 (0.37) ALDH1A1HTR2CHTR2AHTR2B
SCHEMBL30801864 0.85 ALDH1A1 (0.51) ALDH1A1HTR2CGLAHTR3EHTR3B
SCHEMBL30801818 0.85 GRM5 (0.43) HTR2CHTR2BDRD2DRD3
SCHEMBL23573926 0.82 USP30 (0.46) ALDH1A1GLATSHRHTTHTR7
SCHEMBL30986846 0.82 USP30 (0.46) ALDH1A1GLATSHRHTTHTR7
SCHEMBL23573929 0.82 USP30 (0.46) ALDH1A1GLATSHRHTTHTR7
SCHEMBL30801872 0.79 ADRB1 (0.53) HTR2CHTR2AHTR2BCYP17A1
Hydrochloric Acid SCHEMBL3606971 0.78 MAPT (0.52) ALDH1A1HTR2CGLAHTR3EHTR3B
SCHEMBL30801785 0.76 GRIN1 (0.38) ALDH1A1HTR2CGLAHTR3EHTR3B

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
EP-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 EP claimed