SCHEMBL9828643

SCHEMBL9828643

CN(C)CCc1c[nH]c2ccc(C3=NCCN3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.59
HTR1B P28222 10/20 0.59
HTR1A P08908 6/20 0.55
HTR2C P28335 5/20 0.55
HTR2A P28223 4/20 0.55
MPO P05164 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR6 P50406 3/20 0.53
HTR2B P41595 3/20 0.53
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR1E P28566 2/20 0.53
HTR1F P30939 2/20 0.53
HTR7 P34969 2/20 0.53
HTR3A P46098 2/20 0.53
HTR5A P47898 2/20 0.53
HTR4 Q13639 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL9827561 0.85 HTR1A (0.54) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9828636 0.84 KDM4E (0.54) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL9827688 0.78 HTR1D (0.50) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL8475951 0.78 HTR1D (0.61) HTR1DHTR1BHTR1AHTR2CHTR2A
Hydrochloric Acid SCHEMBL10555707 0.77 HTR1A (0.50) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL7323553 0.77 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL7324823 0.77 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL7331855 0.77 HTR1D (0.60) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL7328883 0.76 HTR1D (0.67) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL7324098 0.76 MPO (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225726-B1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-04-17 EP disclosed
US-4833153-A VASOCONSTRICTORS, MIGRAINES GLAXO GROUP LIMITED (GB) 1989-05-23 US disclosed
EP-0225726-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1987-06-16 EP disclosed