SCHEMBL11325344

SCHEMBL11325344

FC(F)(F)c1ccc2c(c1)CNCCC2

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.50
PNMT P11086 7/20 0.47
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 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
SCHEMBL183621 0.89 ASIC3 (0.60) ASIC3PNMTHTR2AHTR2CHTR2B
SCHEMBL29808272 0.89 ASIC3 (0.60) ASIC3PNMTHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1000239 0.88 ASIC3 (0.59) ASIC3PNMTHTR2AHTR2CHTR2B
SCHEMBL329770 0.82 ASIC3 (0.69) ASIC3PNMTHTR2AHTR2CHTR2B
SCHEMBL2310562 0.81 PNMT (0.56) ASIC3PNMTHTR2AHTR2CHTR2B
SCHEMBL29835145 0.81 PNMT (0.56) ASIC3PNMTHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1000104 0.81 ASIC3 (0.68) ASIC3PNMTHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1647036 0.80 PNMT (0.54) ASIC3PNMTHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29627981 0.80 PNMT (0.54) ASIC3PNMTHTR2AHTR2CHTR2B
Bromide SCHEMBL2310632 0.80 PNMT (0.54) ASIC3PNMTHTR2AHTR2CHTR2B

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-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 EP disclosed
EP-0002624-A1 2-Benzazepine compounds, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-06-27 EP disclosed