SCHEMBL3865749

SCHEMBL3865749

Cc1ccc(CC#CCc2cccc(C(N)CCO)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.37
TPSB2 P20231 1/20 0.37
NOS1 P29475 4/20 0.36
NOS2 P35228 2/20 0.36
KCNH2 Q12809 2/20 0.35
PLAU P00749 2/20 0.33
RAB9A P51151 1/20 0.32
TACR1 P25103 2/20 0.31
PLAT P00750 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
SLC5A2 P31639 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL3861228 0.89 CFD (0.45) CFDTPSB2KCNH2TAAR1KMT2A
SCHEMBL3870084 0.83 CFD (0.39) CFDTPSB2NOS1NOS2TAAR1
SCHEMBL24527613 0.77 AOC3 (0.42) CFDTPSB2TACR1TAAR1
SCHEMBL3870016 0.77 CFD (0.35) CFDTPSB2RAB9A
SCHEMBL3865711 0.77 CFD (0.45) CFDTPSB2TAAR1KMT2A
SCHEMBL3859911 0.76 CFD (0.34) CFDTPSB2RAB9A
SCHEMBL3386789 0.72 ALOX5 (0.40)
SCHEMBL14782317 0.72 ALOX5 (0.40)
SCHEMBL3950229 0.70 MTNR1A (0.44) MEN1KMT2A
SCHEMBL15902671 0.69 FFAR1 (0.41) KCNH2TAAR1MEN1KMT2A

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