SCHEMBL3869724

SCHEMBL3869724

O=C(O)NCCOc1cccc(CC#CCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
F10 P00742 1/20 0.47
POLB P06746 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
PPARD Q03181 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3860266 0.92 MTNR1A (0.45) MTNR1AMTNR1BHPGDSMN1; SMN2NPC1
SCHEMBL3860080 0.84 IDO1 (0.51) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL17960754 0.83 SMN1; SMN2 (0.54) MTNR1AMTNR1BHPGDSMN1; SMN2NPC1
SCHEMBL17960683 0.82 MTNR1A (0.50) MTNR1AMTNR1BHPGDSMN1; SMN2NPC1
SCHEMBL3859644 0.81 MTNR1A (0.55) MTNR1AMTNR1BHPGDSMN1; SMN2NPC1
SCHEMBL3446802 0.79 MTNR1A (0.73) MTNR1AMTNR1BHPGDSMN1; SMN2NPC1
SCHEMBL612876 0.77 HAO1 (0.46) MTNR1AMTNR1BHPGDSMN1; SMN2NPC1
SCHEMBL25380954 0.77 DRD2 (0.60) MTNR1AMTNR1BHPGDSMN1; SMN2NPC1
SCHEMBL3858312 0.77 TAAR1 (0.56) HPGDSMN1; SMN2MAOB
SCHEMBL3870188 0.76 L3MBTL1 (0.50) MTNR1AMTNR1BHPGDSMN1; SMN2NPC1

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