SCHEMBL3870084

SCHEMBL3870084

COCC#CCc1cccc(C(N)CCO)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.39
TPSB2 P20231 2/20 0.39
TAAR1 Q96RJ0 2/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30
F11 P03951 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
SCHEMBL3861228 0.85 CFD (0.45) CFDTPSB2TAAR1KMT2ASMN1; SMN2
SCHEMBL3863909 0.83 CFD (0.37) CFDTPSB2
SCHEMBL3865749 0.83 CFD (0.37) CFDTPSB2TAAR1KMT2ANOS1
SCHEMBL3870016 0.76 CFD (0.35) CFDTPSB2
SCHEMBL3859911 0.75 CFD (0.34) CFDTPSB2
SCHEMBL3706015 0.73 SLC7A5 (0.56) CFDTPSB2KMT2ASMN1; SMN2F11
SCHEMBL3706013 0.73 SLC7A5 (0.56) CFDTPSB2KMT2ASMN1; SMN2F11
SCHEMBL3865711 0.73 CFD (0.45) CFDTPSB2TAAR1KMT2ASMN1; SMN2
SCHEMBL24527630 0.71 AOC3 (0.53) TAAR1
SCHEMBL382558 0.71 AOC3 (0.53) TAAR1

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