SCHEMBL7057680

SCHEMBL7057680

CCOc1cc2c(C(C)CNC(C)=O)cn(C(=O)CC)c2c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.42
MTNR1B P49286 8/20 0.42
ACACB O00763 6/20 0.34
RORC P51449 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7056854 0.78 MTNR1B (0.42) MTNR1AMTNR1BALDH1A1MAPTSMN1; SMN2
SCHEMBL7058946 0.76 MTNR1A (0.38) MTNR1AMTNR1BACACBRORCMAPT
SCHEMBL7058957 0.73 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL7060002 0.72 MTNR1A (0.32) MTNR1AMTNR1BRORC
SCHEMBL7054087 0.71 MTNR1A (0.57) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7055812 0.70 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL7055145 0.67 ACACB (0.35) MTNR1AMTNR1BACACB
SCHEMBL7055579 0.66 MTNR1A (0.48) MTNR1AMTNR1BACACB
SCHEMBL7055230 0.65 MTNR1A (0.44) MTNR1AMTNR1BACACBRORCALDH1A1
SCHEMBL7053336 0.64 MTNR1A (0.34) MTNR1AMTNR1BRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656209-B1 Melatonin derivatives for use in treating desynchronization disorders LILLY CO ELI (US) 2003-05-07 EP disclosed
EP-0655243-B1 Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 2002-08-21 EP disclosed
US-6180657-B1 SLEEP DISORDERS ELI LILLY AND COMPANY 2001-01-30 US disclosed
US-5654325-A Melatonin derivatives for use in treating sleep disorders ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
EP-0748627-A2 Melatonin agonists for use in the treatment of benign prostatic hyperplasia ELI LILLY AND COMPANY (US) 1996-12-18 EP disclosed
EP-0656209-A2 Melatonin derivatives for use in treating desynchronization disorders ELI LILLY AND COMPANY (US) 1995-06-07 EP disclosed
EP-0655243-A2 Melatonin derivatives for use in treating sleep disorders ELI LILLY AND COMPANY (US) 1995-05-31 EP disclosed
US-4997845-A β-alkylmelatonins as ovulation inhibitors ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed