SCHEMBL3832964

SCHEMBL3832964

NC1CC(F)Oc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.37
KDM1B Q8NB78 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A4 P31645 2/20 0.33
MAOB P27338 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HTR2A P28223 1/20 0.32
MAOA P21397 1/20 0.32
ATM Q13315 1/20 0.32
ABCB1 P08183 2/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL27924178 0.77 ABCB1 (0.37) MAOBHTR2CHTR2AMAOAABCB1
SCHEMBL1328841 0.77 POLB (0.43) KDM1AKDM1BSLC6A2SLC6A3SLC6A4
SCHEMBL1980720 0.77 MAOB (0.41) KDM1AKDM1BSLC6A2SLC6A3SLC6A4
SCHEMBL18383187 0.77 POLB (0.43) KDM1AKDM1BSLC6A2SLC6A3SLC6A4
SCHEMBL18383190 0.77 POLB (0.43) KDM1AKDM1BSLC6A2SLC6A3SLC6A4
SCHEMBL15087649 0.77 KDM1A (0.34) KDM1AKDM1BSLC6A2SLC6A3SLC6A4
SCHEMBL28513561 0.77 HTR2C (0.37) KDM1AKDM1BSLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL28513964 0.75 HTR2C (0.39) KDM1AKDM1BSLC6A2SLC6A3SLC6A4
SCHEMBL14071736 0.74 MAOB (0.45) KDM1AKDM1BSLC6A2SLC6A3MAOB
SCHEMBL1327438 0.73 SLC6A2 (0.34) KDM1AKDM1BSLC6A2SLC6A3SLC6A4

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-2836486-A1 DIAMINOPYRIMIDINES USEFUL AS INHIBITORS OF THE HUMAN RESPIRATORY SYNCYTIAL VIRUS (RSV) AbbVie Inc. (US) 2015-02-18 EP disclosed
WO-2013123401-A1 DIAMINOPYRIMIDINES USEFUL AS INHIBITORS OF THE HUMAN RESPIRATORY SYNCYTIAL VIRUS (RSV) ABBVIE INC. (US) 2013-08-22 WO disclosed
CN-101595110-A Be used for immunosuppressant 7-substituted purin derivatives PHARMACOPEIA INC (US) 2009-12-02 CN disclosed
EP-2099800-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION Pharmacopeia, LLC (US) 2009-09-16 EP disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 WO disclosed