SCHEMBL7894816

SCHEMBL7894816

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.80
MTNR1B P49286 14/20 0.80
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NQO2 P16083 3/20 0.53
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
SPR P35270 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MDM2 Q00987 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4393644 0.89 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL11615487 0.86 MTNR1A (1.00) MTNR1AMTNR1BLMNANQO2TP53
SCHEMBL18239788 0.86 MTNR1A (0.75) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL7894811 0.82 MTNR1A (0.71) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL26989688 0.79 MTNR1A (0.80) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL7894801 0.78 MTNR1A (0.65) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31543713 0.78 MTNR1A (1.00) MTNR1AMTNR1BNQO2MAPTCYP1A2
SCHEMBL677575 0.78 MTNR1A (1.00) MTNR1AMTNR1BLMNANQO2TP53
SCHEMBL8946916 0.78 MTNR1A (1.00) MTNR1AMTNR1BNQO2MAPTCYP1A2
SCHEMBL7888564 0.77 MTNR1A (0.72) MTNR1AMTNR1BNQO2TP53CYP1A2

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 7 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
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
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