SCHEMBL8771830

SCHEMBL8771830

Cc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccc(N(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.66
HTR2A P28223 9/20 0.56
HTR2C P28335 6/20 0.56
GRIN2B Q13224 1/20 0.54
CHRM4 P08173 3/20 0.53
HTR7 P34969 3/20 0.53
DRD2 P14416 2/20 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
Hydrochloric Acid SCHEMBL7808526 0.99 HTR2B (0.68) HTR2BHTR2AHTR2CGRIN2BCHRM4
Hydrochloric Acid SCHEMBL7808130 0.85 HTR2B (0.61) HTR2BHTR2AHTR2CGRIN2BCHRM4
SCHEMBL7808486 0.84 HTR2B (0.72) HTR2BHTR2AHTR2CGRIN2BCHRM4
SCHEMBL7822460 0.84 HTR2B (0.72) HTR2BHTR2AHTR2CGRIN2BCHRM4
Hydrochloric Acid SCHEMBL7816888 0.83 HTR2B (0.74) HTR2BHTR2AHTR2CGRIN2BCHRM4
Hydrochloric Acid SCHEMBL7816431 0.83 HTR2B (0.74) HTR2BHTR2AHTR2CGRIN2BCHRM4
SCHEMBL29462336 0.81 HTR2B (0.98) HTR2BHTR2ACHRM4HTR7DRD2
SCHEMBL11043054 0.81 HTR2B (0.98) HTR2BHTR2ACHRM4HTR7DRD2
SCHEMBL9391684 0.81 HTR2B (0.98) HTR2BHTR2ACHRM4HTR7DRD2
Hydrochloric Acid SCHEMBL6087920 0.80 HTR2B (0.60) HTR2BHTR2AHTR2C

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-0797994-A2 Use of one or more 5-HT2 receptor antagonists in the manufacture of a medicament for treating the symptoms of venomous bites and stings ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed