SCHEMBL30801822

SCHEMBL30801822

O=C1[C@H]2CNCCN2CCN1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MGLL Q99685 6/20 0.42
PLCG1 P19174 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.39
NTRK1 P04629 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNB2 P17787 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
Hydrochloric Acid SCHEMBL3612152 0.80 LTA4H (0.40) LTA4HMGLLTAAR1HTR2AHTR2C
SCHEMBL30801775 0.78 HTR1A (0.49) ALDH1A1MGLLTAAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL3609734 0.76 TAAR1 (0.42) ALDH1A1TAAR1HTR2AHTR2CHTR2B
SCHEMBL23574011 0.76 USP30 (0.45) ALDH1A1GAAMGLLPLCG1
SCHEMBL23574013 0.76 USP30 (0.45) ALDH1A1GAAMGLLPLCG1
SCHEMBL30801829 0.74 SLC6A2 (0.51) ALDH1A1LMNAHTR2AHTR2CHTR2B
SCHEMBL30801844 0.74 DRD2 (0.49) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL30801884 0.74 HTR1A (0.34) TAAR1HTR2AHTR2CHTR2B
SCHEMBL1514961 0.73 HTR3E (0.44) ALDH1A1MGLLTAAR1HTR2AHTR2C
SCHEMBL1514885 0.73 HTR3E (0.44) ALDH1A1MGLLTAAR1HTR2AHTR2C

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