SCHEMBL2214066

SCHEMBL2214066

c1ccc(OC2CNCCN2C2Cc3ccccc3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.42
HTR2B P41595 10/20 0.42
HTR2A P28223 8/20 0.42
HRH1 P35367 1/20 0.38
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HTR6 P50406 1/20 0.35
GRIN2B Q13224 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL15974677 0.73 SLC6A2 (0.51) HTR2CHTR2BHTR2AHRH1HTR1A
Hydrochloric Acid SCHEMBL7932246 0.71 HRH1 (0.44) HTR2CHTR2BHRH1HTR1ASLC6A2
SCHEMBL27889106 0.71 HRH1 (0.40) HTR2CHTR2BHRH1HTR1ASLC6A2
Hydrochloric Acid SCHEMBL7932341 0.69 HRH1 (0.36) HTR2CHTR2BHRH1HTR1ASLC6A2
SCHEMBL9286439 0.68 PRCP (0.37) HTR2CHTR2BHRH1HTR1ASLC6A2
SCHEMBL3874553 0.66 HTR2C (0.51) HTR2CHTR2BHTR2ATAAR1
SCHEMBL2214065 0.66 SLC6A2 (0.36) HTR2CHTR2BHTR2AHRH1HTR1A
SCHEMBL6692817 0.66 HTR2C (0.45) HTR2CHTR2BHTR2ATAAR1GRIN2B
SCHEMBL6646375 0.66 GRIN2B (0.55) HTR2CHTR2BHTR2AHTR1ATAAR1
Hydrochloric Acid SCHEMBL2224880 0.64 HPGD (0.54) HTR2CHTR2BHTR2AHTR1ATAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342178-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF Sanofi-Aventis (FR) 2011-07-13 EP disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 WO disclosed