SCHEMBL9260978

SCHEMBL9260978

O=C(O)CN1CCC(C(=O)c2nc3ccccc3n2CC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TACR2 P21452 1/20 0.50
TACR1 P25103 1/20 0.50
HRH1 P35367 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APEX1 P27695 1/20 0.49
OPRL1 P41146 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL9259670 0.86 HRH1 (0.69) TACR2TACR1HRH1
SCHEMBL9260920 0.85 KDM4E (0.50) KDM4EHSD17B10APEX1PTGDR2ALDH1A1
SCHEMBL9253881 0.85 HRH1 (0.58) KDM4ETACR2TACR1HRH1
SCHEMBL9268629 0.84 HRH1 (0.45) KDM4ETACR2TACR1HRH1HSD17B10
SCHEMBL9267223 0.84 HRH1 (0.47) KDM4ETACR2TACR1HRH1HSD17B10
SCHEMBL9268450 0.82 TACR2 (0.77) TACR2TACR1HRH1PTGDR2MEN1
SCHEMBL9268872 0.79 TACR2 (0.44) KDM4ETACR2TACR1HRH1HSD17B10
SCHEMBL9268456 0.78 TACR2 (0.53) KDM4ETACR2TACR1HRH1PTGDR2
SCHEMBL9268866 0.78 HRH1 (0.43) KDM4ETACR2TACR1HRH1HSD17B10
SCHEMBL9268763 0.77 HRH1 (0.42) TACR2TACR1HRH1OPRL1OGFRL1

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
US-5380731-A Antiallergic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1995-01-10 US disclosed
EP-0561973-A1 ANTIALLERGIC COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-29 EP disclosed
WO-1992010491-A1 ANTIALLERGIC COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-25 WO disclosed