SCHEMBL3869016

SCHEMBL3869016

Cc1ccc(CC#CCc2cccc(C(O)CCNC(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
CASR P41180 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HCRTR2 O43614 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NQO2 P16083 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL3865994 0.91 MTNR1A (0.40) CNR1CNR2MTNR1AMTNR1BNQO2
SCHEMBL3950229 0.87 MTNR1A (0.44) CNR1CNR2CASROPRM1OPRL1
SCHEMBL3861226 0.86 MTNR1A (0.36) CNR1CNR2MTNR1AMTNR1BNQO2
SCHEMBL236345 0.83 OPRM1 (0.36) CNR1CNR2CASROPRM1OPRL1
SCHEMBL3870189 0.82 HDAC6 (0.35) CNR1CNR2MTNR1AMTNR1BOPRD1
SCHEMBL4569064 0.81 CNR1 (0.41) CNR1CNR2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL612756 0.81 CNR1 (0.41) CNR1CNR2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL14643104 0.79 MTNR1A (0.40) CNR1CNR2MTNR1AMTNR1BNQO2
SCHEMBL3948109 0.78 MTNR1A (0.33) CNR1CNR2MTNR1AMTNR1BNQO2
SCHEMBL614318 0.78 MTNR1A (0.44) CNR1CNR2MTNR1AMTNR1BNQO2

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