SCHEMBL6161881

SCHEMBL6161881

COC(CN=C(NCC(CCOC(C)=O)c1ccc(Cl)c(Cl)c1)c1ccccc1)OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.41
MCHR1 Q99705 6/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CASR P41180 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TACR1 P25103 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6172696 0.93 TACR2 (0.41) TACR2MCHR1SLC6A2SLC6A4SLC6A3
SCHEMBL6172692 0.93 TACR2 (0.41) TACR2MCHR1SLC6A2SLC6A4SLC6A3
SCHEMBL7045680 0.82 TACR2 (0.47) TACR2MCHR1SLC6A2SLC6A4SLC6A3
SCHEMBL5866364 0.82 TACR2 (0.47) TACR2MCHR1SLC6A2SLC6A4SLC6A3
SCHEMBL6665274 0.74 SLC6A2 (0.48) MCHR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL6665281 0.74 SLC6A2 (0.48) MCHR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL9078698 0.73 CYP3A4 (0.42) TACR2MCHR1SLC6A2SLC6A4SLC6A3
SCHEMBL6172698 0.73 TACR2 (0.35) TACR2MCHR1SLC6A2SLC6A4SLC6A3
SCHEMBL7046390 0.70 TACR2 (0.56) TACR2TACR1
SCHEMBL7046387 0.70 TACR2 (0.56) TACR2TACR1

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-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
US-6355695-B1 ANTIHISTAMINES; ASTHMA THERAPY ZENECA LIMITED (SE) 2002-03-12 US disclosed
US-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed
US-6051580-A Substituted heterocycles ZENECA LIMITED 2000-04-18 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed