SCHEMBL172227

SCHEMBL172227

CC1CC(c2cccc(F)c2)N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.44
HTR2C P28335 5/20 0.44
HTR2B P41595 5/20 0.44
CA1 P00915 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
HRH3 Q9Y5N1 4/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALOX5 P09917 1/20 0.38
IDO1 P14902 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL21723161 0.77 HTR2A (0.41) HTR2AHTR2CHTR2BCA1KDM1A
SCHEMBL170738 0.76 MEN1 (0.55) HTR2CHTR2BKDM1ARCOR1KMT2A
SCHEMBL170815 0.76 MEN1 (0.55) HTR2CHTR2BKDM1ARCOR1KMT2A
SCHEMBL13272292 0.75 HTR2A (0.56) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL7896331 0.75 HTR2A (0.56) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL19444237 0.75 HTR2A (0.56) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL20835371 0.74 HTR2A (0.35) HTR2AHTR2CHTR2BCA1KDM1A
SCHEMBL22451497 0.74 HTR2A (0.35) HTR2AHTR2CHTR2BCA1KDM1A
SCHEMBL22451400 0.74 HTR2A (0.35) HTR2AHTR2CHTR2BCA1KDM1A
SCHEMBL19803650 0.74 HTR2A (0.35) HTR2AHTR2CHTR2BCA1KDM1A

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-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed