SCHEMBL8822697

SCHEMBL8822697

CCC(=O)NCC(C)c1c[nH]c2c(F)cc(OC(C)CC)cc12.CCCOc1cc(Cl)c2[nH]cc(C(CC)CNC(=O)CC)c2c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
GCGR P47871 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL7058558 0.86 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL7057928 0.85 MTNR1A (0.42) MTNR1AMTNR1BGCGRTRPV1
SCHEMBL7057923 0.81 MTNR1A (0.44) MTNR1AMTNR1BGCGRTRPV1
SCHEMBL8822761 0.72 MTNR1A (0.58) MTNR1AMTNR1BTRPV1
SCHEMBL7055218 0.72 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL7057717 0.71 MTNR1A (0.53) MTNR1AMTNR1BTRPV1
SCHEMBL8822694 0.69 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL7055536 0.68 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL7056605 0.68 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL7053413 0.66 MTNR1A (0.35) MTNR1AMTNR1BGCGR

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