SCHEMBL14655700

SCHEMBL14655700

COc1ccccc1C[C@@H](C)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
HTR2A P28223 2/20 0.61
IDO1 P14902 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55

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
SCHEMBL266563 1.00 KMT2A (0.64) KMT2AHTR2AIDO1TAAR1
SCHEMBL30249073 1.00 KMT2A (0.64) KMT2AHTR2AIDO1TAAR1
Hydrochloric Acid SCHEMBL28775228 0.98 KMT2A (0.67) KMT2AHTR2AIDO1
Iodide SCHEMBL28548071 0.98 KMT2A (0.62) KMT2AHTR2AIDO1TAAR1
Hydrochloric Acid SCHEMBL30559568 0.98 KMT2A (0.67) KMT2AHTR2AIDO1
SCHEMBL9638844 0.86 IDO1 (0.57) KMT2AIDO1TAAR1
SCHEMBL11946649 0.85 IDO1 (0.52) KMT2AHTR2AIDO1TAAR1
Hydrochloric Acid SCHEMBL5307530 0.84 HTR2A (0.63) HTR2ATAAR1
SCHEMBL878976 0.83 IDO1 (0.53) KMT2AIDO1TAAR1
SCHEMBL23929137 0.83 KMT2A (0.55) KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2551675-A1 Deuterium free, stable isotope labeled 2-phenylethylamine hallucinogens and/or stimulants, methods fo their preparation and their use Chiron AS (NO) 2013-01-30 EP claimed
US-9347961-B2 Test kit for the quantitative determination of narcotic drugs CHIRON AS (NO) 2016-05-24 US disclosed
US-20150204893-A1 TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS CHIRON AS (NO) 2015-07-23 US disclosed
EP-2875362-A1 TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS Chiron AS (NO) 2015-05-27 EP disclosed
WO-2014013063-A1 TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS CHIRON AS (NO) 2014-01-23 WO disclosed
EP-2687854-A1 Test kit for the quantitative determination of narcotic drugs Chiron AS (NO) 2014-01-22 EP disclosed
EP-2551675-A1 Deuterium free, stable isotope labeled 2-phenylethylamine hallucinogens and/or stimulants, methods fo their preparation and their use Chiron AS (NO) 2013-01-30 EP disclosed