SCHEMBL9800384

SCHEMBL9800384

CNS(=O)(=O)CCc1ccc2[nH]cc(CCO)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.59
HTR1B P28222 10/20 0.59
HTR1A P08908 9/20 0.59
HTR2C P28335 3/20 0.59
HTR2A P28223 3/20 0.59
HTR7 P34969 2/20 0.59
HTR5A P47898 2/20 0.59
HTR2B P41595 2/20 0.59
HTR1E P28566 1/20 0.59
HTR1F P30939 1/20 0.59
HTR3A P46098 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
CYP2D6 P10635 2/20 0.50
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8092644 0.89 HTR1D (0.74) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9800332 0.88 HTR1A (0.59) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9800335 0.88 HTR1A (0.61) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9800369 0.85 HTR1A (0.57) HTR1DHTR1BHTR1AHTR2CHTR2A
Hydrochloric Acid SCHEMBL9800399 0.85 HTR1A (0.57) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9800349 0.85 HTR1A (0.80) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9800416 0.85 HTR1B (0.54) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9800344 0.85 MTNR1A (0.62) HTR1DHTR1BHTR1AHTR2CHTR2A
Hydrochloric Acid SCHEMBL9800365 0.84 HTR1A (0.79) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9800346 0.84 MPO (0.57) HTR1DHTR1BHTR1AHTR2CHTR2A

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
US-4994483-A 5-substituted-3-aminoalkyl indole derivatives for migraine GLAXO GROUP LIMITED (GB) 1991-02-19 US disclosed