SCHEMBL8837337

SCHEMBL8837337

C[C@H]1CO[C@H](c2cccc(F)c2F)[C@@H](C)N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TAAR1 Q96RJ0 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRM5 P41594 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR1A P08908 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL8664875 1.00 HTR2C (0.39) HTR2CHTR2BTAAR1CYP2D6SLC6A2
SCHEMBL8664873 1.00 HTR2C (0.39) HTR2CHTR2BTAAR1CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL8662877 0.98 HTR2C (0.41) HTR2CHTR2BTAAR1CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL8837315 0.98 HTR2C (0.41) HTR2CHTR2BTAAR1CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL8662881 0.98 HTR2C (0.41) HTR2CHTR2BTAAR1CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL8837316 0.86 MEN1 (0.41) HTR2CHTR2BTAAR1CYP2D6MEN1
Hydrochloric Acid SCHEMBL8661008 0.86 MEN1 (0.41) HTR2CHTR2BTAAR1CYP2D6MEN1
Hydrochloric Acid SCHEMBL8661010 0.86 MEN1 (0.41) HTR2CHTR2BTAAR1CYP2D6MEN1
Hydrochloric Acid SCHEMBL8837347 0.79 HTR2C (0.40) HTR2CHTR2BGRM5
Hydrochloric Acid SCHEMBL8662444 0.79 HTR2C (0.40) HTR2CHTR2BGRM5

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-5648347-A ANTIDEPRESSANTS GLAXO WELLCOME INC. (US) 1997-07-15 US disclosed