SCHEMBL30801844

SCHEMBL30801844

O=C1[C@H]2CNCCN2CCN1c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
HTR2A P28223 4/20 0.49
HTR2C P28335 4/20 0.49
HTR2B P41595 3/20 0.49
CYP2C19 P33261 2/20 0.49
HTR1A P08908 2/20 0.49
CYP2D6 P10635 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
ADRB1 P08588 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49
HTT P42858 1/20 0.49
HTR3A P46098 1/20 0.49
HTR6 P50406 1/20 0.49

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 SCHEMBL3605372 0.88 HTR2C (0.48) DRD2HTR2AHTR2CHTR2BCYP2C19
SCHEMBL30801775 0.85 HTR1A (0.49) HTR2AHTR2CHTR2BCYP2C19HTR1A
SCHEMBL30801829 0.84 SLC6A2 (0.51) HTR2AHTR2CHTR2BCYP2C19HTR1A
SCHEMBL30801864 0.83 ALDH1A1 (0.51) DRD2HTR2AHTR2CHTR2BHTR3E
SCHEMBL30801713 0.82 HTR2A (0.45) HTR2AHTR2CHTR2BSLC6A4HTT
SCHEMBL30801777 0.81 HTR2C (0.38) DRD2HTR2AHTR2CHTR2BCYP2C19
SCHEMBL30801874 0.81 HTR2C (0.38) DRD2HTR2AHTR2CHTR2BCYP2C19
SCHEMBL30801834 0.78 HTR2C (0.47) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL30801816 0.78 TP53 (0.41) DRD2HTR2AHTR2CHTR2BTP53
SCHEMBL30801868 0.78 DPP4 (0.42) DRD2HTR2AHTR2CHTR2BCYP2C19

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