SCHEMBL30801713

SCHEMBL30801713

Cc1ccc(N2CCN3CCNC[C@@H]3C2=O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 6/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
HIF1A Q16665 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30801829 0.90 SLC6A2 (0.51) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL30801844 0.82 DRD2 (0.49) HTR2AHTR2CHTR2BSLC6A4ALDH1A1
SCHEMBL30801834 0.81 HTR2C (0.47) HTR2AHTR2CHTR2BALDH1A1HPGD
Hydrochloric Acid SCHEMBL3609575 0.79 SLC6A2 (0.49) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL23573996 0.76 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL23573997 0.76 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL30801775 0.75 HTR1A (0.49) HTR2AHTR2CHTR2BALDH1A1HIF1A
Hydrochloric Acid SCHEMBL3604903 0.74 ADRB1 (0.35) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL30801864 0.73 ALDH1A1 (0.51) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL30801822 0.72 LTA4H (0.49) HTR2AHTR2CHTR2BALDH1A1GAA

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