SCHEMBL16660426

SCHEMBL16660426

Fc1ccc([C@H]2CCNC2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.59
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
CYP2D6 P10635 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
PDE4B Q07343 1/20 0.47
QDPR P09417 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 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
SCHEMBL724585 1.00 HTR3A (0.59) HTR3AKDM1AMAOBCYP2D6SLC6A2
SCHEMBL28298496 0.92 HTR3A (0.51) HTR3AKDM1AMAOBCYP2D6SLC6A2
SCHEMBL24127250 0.91 CYP2D6 (0.54) HTR3AKDM1AMAOBCYP2D6SLC6A2
SCHEMBL1765234 0.89 QDPR (0.56) HTR3AKDM1AMAOBSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1764764 0.87 QDPR (0.55) HTR3AKDM1AMAOBSLC6A2SLC6A4
SCHEMBL1825489 0.84 HTR3A (0.64) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13698229 0.84 HTR3A (0.54) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1823960 0.84 SLC6A2 (0.59) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL22608997 0.84 QDPR (0.57) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27825252 0.84 HTR3A (0.50) HTR3AKDM1ACYP2D6SLC6A2SLC6A4

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
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP disclosed