SCHEMBL3870082

SCHEMBL3870082

CC(C)CC#Cc1cccc(C(N)CCO)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HAO1 Q9UJM8 2/20 0.38
CFD P00746 1/20 0.35
TPSB2 P20231 1/20 0.35
LMNA P02545 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
TRPA1 O75762 1/20 0.33
ASIC3 Q9UHC3 2/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL15902652 0.82 HTR2A (0.47) HTR2ALMNAGRIK1GRIK2ALDH1A1
SCHEMBL3863909 0.82 CFD (0.37) HTR2ACFDTPSB2LMNAASIC3
SCHEMBL3864857 0.81 HTR2C (0.39) ASIC3
SCHEMBL3867999 0.81 CFD (0.44) HTR2ACFDTPSB2TRPA1ASIC3
SCHEMBL3865711 0.81 CFD (0.45) HTR2AHAO1CFDTPSB2KMT2A
SCHEMBL3860277 0.80 HTR2C (0.40)
SCHEMBL3864997 0.78 CHRNB4 (0.38) HTR2ACFDTPSB2ASIC3
SCHEMBL232888 0.78 HTR2A (0.40) HTR2AHAO1LMNAASIC3KMT2A
SCHEMBL15902347 0.77 SCN4A (0.43) HTR2ACFDTPSB2
SCHEMBL3862437 0.76 HAO1 (0.41) HAO1CFDTPSB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed