SCHEMBL29322160

SCHEMBL29322160

CN1CCN2CC=CN=C2C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.33
HTR3B O95264 4/20 0.33
HTR3A P46098 4/20 0.33
HTR3D Q70Z44 4/20 0.33
HTR3C Q8WXA8 4/20 0.33
HRH4 Q9H3N8 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
THPO P40225 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ADRA2C P18825 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL29341632 0.65 ALDH1A1 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8231954 0.60
SCHEMBL27082996 0.57 HRH4 (0.59) HTR3AHRH4HRH3
SCHEMBL17081031 0.57
SCHEMBL255331 0.56 MAPT (0.57) HTR3AHRH4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7714392 0.54 ALDH1A1 (0.57) HTR3AHRH4KDM4EALDH1A1
SCHEMBL9906201 0.54 DRD2 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12369405 0.54 CHRM2 (0.36)
SCHEMBL19005827 0.53 ADRA2C (0.32) HRH4KDM4EALDH1A1ADRA2CMAOA
SCHEMBL23220824 0.53 KMT2A (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C

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-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed