SCHEMBL7843475

SCHEMBL7843475

COC(=O)CCNC(=O)c1cc(Br)c[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.55
PKM P14618 1/20 0.52
DAO P14920 1/20 0.49
HRH3 Q9Y5N1 5/20 0.47
ADRA2A P08913 1/20 0.47
ADRA1D P25100 1/20 0.47
ALDH1A1 P00352 3/20 0.44
VIP P01282 1/20 0.43
KCNA6 P17658 1/20 0.43
KCNA3 P22001 1/20 0.43
KCNA4 P22459 1/20 0.43
KCNA5 P22460 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL24080898 0.87 CREBBP (0.51) CREBBPPKMDAOHRH3ADRA2A
SCHEMBL7845382 0.83 PKM (0.60) CREBBPPKMDAOHRH3ADRA2A
SCHEMBL23330945 0.80 CREBBP (0.51) CREBBPPKMDAOALDH1A1MAPT
SCHEMBL7845571 0.75 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL7849073 0.74 HDAC3 (0.55)
SCHEMBL28746425 0.74 CREBBP (0.60) CREBBPPKMDAOHRH3ADRA2A
SCHEMBL13486629 0.73 HRH3 (0.72) PKMHRH3ADRA2AADRA1DALDH1A1
SCHEMBL13655571 0.72 PKM (0.51) CREBBPPKMDAOHRH3ADRA2A
SCHEMBL23952430 0.72 CREBBP (0.67) CREBBPPKMDAOHRH3ADRA2A
SCHEMBL23718091 0.72 CREBBP (1.00) CREBBPPKMDAOHRH3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 EP disclosed
US-5621099-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-04-15 US disclosed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 EP disclosed