SCHEMBL7452038

SCHEMBL7452038

CCCC(=O)Nc1cccc(-c2cccc(OC)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.76
MTNR1A P48039 6/20 0.70
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
GAA P10253 1/20 0.59
ALOX15 P16050 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CNR1 P21554 1/20 0.59
PKM P14618 1/20 0.58
F2R P25116 1/20 0.57
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
USP2 O75604 1/20 0.56

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
SCHEMBL8278751 0.91 MTNR1B (0.89) MTNR1BMTNR1ARAB9AALDH1A1HPGD
SCHEMBL8644515 0.89 MTNR1B (0.68) MTNR1BMTNR1ARAB9AALDH1A1HPGD
SCHEMBL8645993 0.84 CYP2C19 (0.68) MTNR1BMTNR1ARAB9AALDH1A1HPGD
SCHEMBL12383061 0.84 F2R (0.77) ALDH1A1HPGDGAAF2RPOLB
SCHEMBL13753200 0.83 MTNR1B (0.75) MTNR1BMTNR1ARAB9AALDH1A1HPGD
SCHEMBL30605275 0.82 MTNR1B (0.73) MTNR1BMTNR1ARAB9AALDH1A1HPGD
SCHEMBL25938755 0.82 MTNR1B (0.73) MTNR1BMTNR1ARAB9AALDH1A1HPGD
SCHEMBL4611370 0.81 MTNR1B (0.72) MTNR1BMTNR1ARAB9AALDH1A1HPGD
SCHEMBL8142313 0.81 CYP3A4 (0.59) MTNR1BMTNR1ARAB9AALDH1A1HPGD
SCHEMBL10975643 0.80 F2R (0.73) MTNR1BRAB9AALDH1A1HPGDF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910356-A4 BIPHENYLAMIDO DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-13 EP claimed
EP-0910356-A1 BIPHENYLAMIDO DERIVATIVES AS MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 1999-04-28 EP claimed
US-5808151-A CONTROLLING SLEEP BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-15 US claimed
WO-1997038682-A1 BIPHENYLAMIDO DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-23 WO claimed
US-5808151-A CONTROLLING SLEEP BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-15 US disclosed