SCHEMBL14067784

SCHEMBL14067784

CCOC(=O)CCn1c2c(c3cc(F)ccc31)CN(Cc1ccncc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.56
HTR6 P50406 11/20 0.56
GRIN2B Q13224 1/20 0.51
CNR1 P21554 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL14067986 0.91 GRIN2B (0.56) HRH1HTR6GRIN2BCNR1HDAC1
SCHEMBL14067977 0.90 GRIN2B (0.51) HRH1HTR6GRIN2BHDAC1HDAC6
SCHEMBL14067785 0.90 HRH1 (0.59) HRH1HTR6GRIN2B
SCHEMBL14067988 0.88 GRIN2B (0.51) HRH1HTR6GRIN2BHDAC1HDAC6
SCHEMBL14067659 0.87 HTR6 (0.52) HRH1HTR6GRIN2BHDAC1HDAC6
SCHEMBL14067987 0.85 HDAC1 (0.56) HRH1HTR6CNR1HDAC1HDAC6
SCHEMBL14067794 0.85 HRH1 (0.62) HRH1HTR6GRIN2B
SCHEMBL14067941 0.85 HRH1 (0.66) HRH1HTR6GRIN2B
SCHEMBL14067975 0.85 GRIN2B (0.53) HRH1HTR6GRIN2B
SCHEMBL14067947 0.84 GRIN2B (0.52) HRH1HTR6GRIN2B

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
WO-2008115098-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND THE USE THEREOF ALLA CHEM, LLC (US) 2008-09-25 WO disclosed