SCHEMBL3727019

SCHEMBL3727019

Clc1nc2c(c(N3C4CCC3COC4)n1)CNCC2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
MAPT P10636 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
SCHEMBL3727027 0.88 PIK3R1 (0.31)
SCHEMBL3723470 0.80 WNT3A (0.36)
SCHEMBL7875027 0.75 CYP2C19 (0.38) MAPT
SCHEMBL629349 0.73 JAK2 (0.35)
SCHEMBL3719574 0.69 MTOR (0.54)
SCHEMBL7875024 0.68 MTOR (0.38) MAPT
SCHEMBL2572051 0.68 PNMT (0.42) HTR2AHTR2CHTR2BMAPT
Hydrochloric Acid SCHEMBL4322406 0.67 PNMT (0.41) HTR2AHTR2CHTR2BMAPT
SCHEMBL15112869 0.66 C5AR1 (0.37) HTR2AHTR2CHTR2B
SCHEMBL23493540 0.66 HTR2C (0.51) HTR2AHTR2CHTR2BMAPT

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-2010120991-A1 5, 6, 7, 8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR, PI3, AND HSMG-1 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed