SCHEMBL7056833

SCHEMBL7056833

CC(=O)NCC(C)c1c[nH]c2c(Cl)c(Cl)c(OC(C)C)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.58
MTNR1B P49286 12/20 0.58
RORC P51449 1/20 0.36
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
AEBP2 Q6ZN18 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
HTR2B P41595 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4966587 0.90 MTNR1A (0.69) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8822760 0.83 MTNR1A (0.60) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7057879 0.82 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7054082 0.81 MTNR1A (0.66) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7051614 0.80 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7055066 0.79 MTNR1A (0.54) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7055344 0.79 MTNR1A (0.54) MTNR1AMTNR1BTRPV1
SCHEMBL7051696 0.77 MTNR1A (0.64) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8822728 0.77 MTNR1A (0.57) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7050446 0.76 MTNR1A (0.52) MTNR1AMTNR1BMEN1LMNACYP1A2

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 14 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
CN-1100533-C Melatonin derivatives for use in terating desynchronization disorders LILLY CO ELI (US) 2003-02-05 CN disclosed
CN-1092958-C Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 2002-10-23 CN 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
CN-1191484-A Melatonin agonists for treating benign prostatic hyperplasia LILLY CO ELI (US) 1998-08-26 CN 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
WO-1997000069-A1 MELATONIN AGONISTS FOR TREATING BENIGN PROSTATIC HYPERPLASIA ELI LILLY AND COMPANY (US) 1997-01-03 WO 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
CN-1107700-A Melatonin derivatives for use in terating desynchronization disorders LILLY CO ELI (US) 1995-09-06 CN disclosed
CN-1107701-A Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 1995-09-06 CN 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