SCHEMBL7975273

SCHEMBL7975273

c1ccc2c(c1)Sc1ccccc1N1CCNCC21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.52
HTR2B P41595 14/20 0.52
HTR2A P28223 10/20 0.52
KDM1A O60341 2/20 0.46
TAAR1 Q96RJ0 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
SCHEMBL11289916 0.77 HTR2C (0.54) HTR2CHTR2BHTR2ATAAR1
SCHEMBL30589883 0.76 HTR2C (0.57) HTR2CHTR2BHTR2ATAAR1
SCHEMBL28234300 0.76 HTR2C (0.52) HTR2CHTR2BHTR2ATAAR1
SCHEMBL9123250 0.76 HTR2C (0.57) HTR2CHTR2BHTR2ATAAR1
SCHEMBL2739027 0.76 HTR2C (0.57) HTR2CHTR2BHTR2ATAAR1
SCHEMBL9124433 0.76 HTR2C (0.57) HTR2CHTR2BHTR2ATAAR1
SCHEMBL7958660 0.75 HTR2C (0.51) HTR2CHTR2BHTR2ATAAR1
Hydrochloric Acid SCHEMBL11403481 0.75 MEN1 (0.58) HTR2CHTR2BHTR2ATAAR1
SCHEMBL6422828 0.71 HTR2C (0.54) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6422741 0.70 HTR2C (0.52) HTR2CHTR2BHTR2A

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-6187770-B1 N-substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2001-02-13 US disclosed