SCHEMBL6925477

SCHEMBL6925477

O=C1CCCc2c1c1cc(Cl)ccc1n2Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.65
PTGS2 P35354 4/20 0.65
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
BRD4 O60885 1/20 0.48
FABP4 P15090 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL6926059 0.89 PTGS1 (0.67) PTGS1PTGS2HDAC1HDAC6MAPT
SCHEMBL6921299 0.88 HDAC1 (0.69) PTGS1PTGS2HDAC1HDAC6CSNK2A2
SCHEMBL6925062 0.86 PTGS1 (0.58) PTGS1PTGS2HDAC1HDAC6CSNK2A2
SCHEMBL6925178 0.85 HDAC1 (0.70) PTGS1PTGS2HDAC1HDAC6CSNK2A2
SCHEMBL30480036 0.85 HDAC1 (0.70) PTGS1PTGS2HDAC1HDAC6CSNK2A2
SCHEMBL7547764 0.84 HDAC1 (0.69) PTGS1PTGS2HDAC1HDAC6CSNK2A2
SCHEMBL6919959 0.83 HTR6 (0.59) PTGS1PTGS2HDAC1HDAC6CSNK2A2
SCHEMBL7547761 0.83 HDAC1 (0.67) PTGS1PTGS2HDAC1HDAC6CSNK2A2
SCHEMBL5794392 0.83 ALDH1A1 (0.66) PTGS1PTGS2HDAC1HDAC6MAPT
SCHEMBL6923513 0.80 HDAC1 (0.76) PTGS1PTGS2HDAC1HDAC6ALDH1A1

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-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed