SCHEMBL8928129

SCHEMBL8928129

COc1cc(CCCNC(=O)C2CC2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
ALDH1A1 P00352 7/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8928239 0.89 KMT2A (0.65) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL7838949 0.81 KMT2A (0.74) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL8928226 0.78 MTNR1A (0.70) MTNR1AMTNR1BALDH1A1
SCHEMBL8747121 0.76 KMT2A (0.71) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL8549452 0.76 KMT2A (0.61) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL8098121 0.76 KMT2A (0.71) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL7279475 0.76 ALDH1A1 (0.71) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL7279469 0.76 ALDH1A1 (0.71) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL3351763 0.75 KMT2A (0.60) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL11735352 0.75 ALDH1A1 (0.72) GAAKMT2AMEN1ALDH1A1TSHR

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
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US claimed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP claimed
US-5661185-A AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed