SCHEMBL7894811

SCHEMBL7894811

COc1cc2c(CCNC(C)=O)c(-c3ccccc3)[nH]c2cc1Br

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.71
MTNR1B P49286 10/20 0.71
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
HPGD P15428 1/20 0.69
CYP2C19 P33261 1/20 0.69
HSD17B10 Q99714 1/20 0.69

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
SCHEMBL7894801 0.89 MTNR1A (0.65) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL7888641 0.87 MTNR1A (0.62) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL4393644 0.83 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL7894816 0.82 MTNR1A (0.80) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL3508630 0.82 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL29759426 0.82 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL13436463 0.80 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL8822724 0.80 MTNR1A (0.53) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL24098945 0.79 MTNR1A (0.72) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL7888676 0.78 MTNR1A (0.57) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4087444-A Amides as ovulation inhibitors ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed