SCHEMBL8822702

SCHEMBL8822702

CCCC(=O)NCC(C)c1c[nH]c2c(F)c(F)c(OC)cc12.CCOc1cc2c(C(C)CNC(=O)CC)c[nH]c2c(Cl)c1Br

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.43
MTNR1B P49286 10/20 0.43
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL7056844 0.89 MTNR1A (0.44) MTNR1AMTNR1BSMN1; SMN2TRPV1
SCHEMBL7058321 0.87 MTNR1A (0.49) MTNR1AMTNR1BTRPV1
SCHEMBL7055344 0.81 MTNR1A (0.54) MTNR1AMTNR1BTRPV1
SCHEMBL7054074 0.77 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL8822773 0.77 MTNR1A (0.35) MTNR1AMTNR1BSMN1; SMN2TRPV1
SCHEMBL7054305 0.76 MTNR1A (0.47) MTNR1AMTNR1BTRPV1
SCHEMBL8822728 0.76 MTNR1A (0.57) MTNR1AMTNR1BTRPV1
SCHEMBL7057879 0.76 MTNR1A (0.65) MTNR1AMTNR1BTRPV1
SCHEMBL7051696 0.76 MTNR1A (0.64) MTNR1AMTNR1BTRPV1
SCHEMBL7058314 0.76 MTNR1A (0.35) MTNR1AMTNR1BSMN1; SMN2

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
WO-1997000069-A1 MELATONIN AGONISTS FOR TREATING BENIGN PROSTATIC HYPERPLASIA ELI LILLY AND COMPANY (US) 1997-01-03 WO disclosed