SCHEMBL7941653

SCHEMBL7941653

CC(C)C(CC#CN)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.57
AOC3 Q16853 3/20 0.44
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR2A P28223 2/20 0.39
PKM P14618 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9768615 0.81 TAAR1 (0.53) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL6014574 0.80 TAAR1 (0.54) TAAR1AOC3HTR2ALMNAKDM4E
SCHEMBL19762907 0.76 TAAR1 (0.55) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL5351663 0.73 TAAR1 (1.00) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL5005843 0.73 TAAR1 (1.00) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL247628 0.73 TAAR1 (1.00) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL29790456 0.72 AOC3 (0.48) TAAR1AOC3SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1669712 0.71 TAAR1 (0.95) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL6014398 0.71 TAAR1 (0.52) TAAR1AOC3
SCHEMBL598978 0.70 TAAR1 (0.64) TAAR1AOC3SLC6A2SLC6A4SLC6A3

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-6242002-B1 RAPIDLY DISINTEGRATING ORAL DOSAGE FORM OF ALKALI-SENSITIVE MATERIAL, EFFERVESCENT BASE OF ALKALINE EARTH METAL CARBONATE, ORGANIC EDIBLE ACID AND ALKALI METAL SALT OF CITRIC ACID, AUXILIARY INGREDIENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-06-05 US disclosed