SCHEMBL28361578

SCHEMBL28361578

O=C(CCC1CCc2cc(F)c3c(c21)CCO3)NCC(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.44
MTNR1B P49286 14/20 0.44
ABCB11 O95342 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP2 O75604 1/20 0.41
ITGB3 P05106 1/20 0.30
ITGAV P06756 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
SCHEMBL28361576 1.00 MTNR1A (0.44) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28361663 0.87 MTNR1A (0.42) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28361666 0.87 MTNR1A (0.42) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28361553 0.83 MTNR1A (0.38) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28361554 0.83 MTNR1A (0.38) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28357913 0.82 MTNR1A (0.41) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28357917 0.82 MTNR1A (0.41) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1567881 0.82 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1566407 0.79 MTNR1A (0.66) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1566259 0.73 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818720-A Melatonin (MT1/MT2) receptor agonist, preparation method and application thereof 上海阳帆医药科技有限公司 2020-02-21 CN disclosed