SCHEMBL21361448

SCHEMBL21361448

Clc1ccc(N2CCN(I)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
ADRB1 P08588 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
CHIA Q9BZP6 1/20 0.53
DRD4 P21917 1/20 0.52
AKR1C3 P42330 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL870704 0.88 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29998630 0.88 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL24103508 0.78 SIGMAR1 (0.64) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1822749 0.78 HTR3E (0.64) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL11771698 0.78 HTR3E (0.58) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL18837373 0.77 ADRB1 (0.57) ADRB1AKR1C3ALDH1A1LMNAHPGD
SCHEMBL21572670 0.77 MAPT (0.63) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL22815633 0.77 CHIA (0.58) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2056127 0.77 GAA (0.63) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL7266357 0.77 CHIA (0.58) HTR3EHTR3BADRB1HTR3AHTR3D

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
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed