SCHEMBL4750906

SCHEMBL4750906

CC(C)(CN)Oc1cc(N)cc2c1OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
DHFR P00374 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
NPC1 O15118 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
SCHEMBL4753363 0.90 HTR2A (0.38) HTR2ADHFRLMNAALDH1A1KMT2A
SCHEMBL4750827 0.81 ALDH1A1 (0.38) HTR2ALMNAALDH1A1KMT2APOLB
SCHEMBL28493074 0.79 DHFR (0.40) HTR2ADHFRLMNAALDH1A1KMT2A
SCHEMBL28496894 0.78 KMT2A (0.39) HTR2ADHFRLMNAALDH1A1KMT2A
SCHEMBL28978441 0.75 DHFR (0.40) HTR2ADHFRLMNAALDH1A1KMT2A
SCHEMBL4753309 0.74 NPC1 (0.37) HTR2ADHFRLMNAALDH1A1KMT2A
SCHEMBL4754289 0.73 FFAR4 (0.39) HTR2ADHFRLMNAALDH1A1KMT2A
SCHEMBL4049990 0.72 LMNA (0.45) LMNAALDH1A1KMT2APOLBNPC1
SCHEMBL4750889 0.72 POLB (0.42) HTR2ADHFRLMNAALDH1A1KMT2A
SCHEMBL4753174 0.72 KMT2A (0.37) HTR2ALMNAALDH1A1KMT2APOLB

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-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed