SCHEMBL7056801

SCHEMBL7056801

CCCC(=O)NCC(C)c1cn(C(=O)CCl)c2ccc(OC)cc12

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.74
MTNR1B P49286 18/20 0.74
AKR1C3 P42330 1/20 0.43
NQO2 P16083 1/20 0.43

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
SCHEMBL7054087 0.69 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL18800036 0.69 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL7055579 0.69 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL7053303 0.67 MTNR1A (0.51) MTNR1AMTNR1BAKR1C3
SCHEMBL9046975 0.67 AKR1C3 (0.44) MTNR1AMTNR1BAKR1C3
SCHEMBL7057717 0.67 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL6944686 0.65 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL456877 0.65 MTNR1A (0.42) MTNR1AMTNR1BAKR1C3
SCHEMBL10566139 0.65 MTNR1A (0.56) MTNR1AMTNR1BAKR1C3NQO2
SCHEMBL7050429 0.65 MTNR1A (0.53) MTNR1AMTNR1BAKR1C3

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 9 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-5770610-A ADMINISTERING R-(+)-N-(2-METHYL-2-(5-METHOXY-6-CHLOROINDOL-3-YL)ETHYL) ACETAMIDE ELI LILLY AND COMPANY (US) 1998-06-23 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