SCHEMBL6921111

SCHEMBL6921111

O=C1CCCc2c1c1cccc(F)c1n2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.53
CSNK2B P67870 3/20 0.53
CSNK2A1 P68400 3/20 0.53
ABCG2 Q9UNQ0 3/20 0.53
FABP4 P15090 9/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
FABP3 P05413 3/20 0.47
BRD4 O60885 1/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL6924568 0.91 FABP4 (0.51) CSNK2A2CSNK2BCSNK2A1ABCG2FABP4
SCHEMBL7555285 0.89 DYRK1A (0.49) CSNK2A2CSNK2BCSNK2A1ABCG2FABP4
SCHEMBL6925034 0.86 CSNK2A2 (0.54) CSNK2A2CSNK2BCSNK2A1ABCG2FABP4
SCHEMBL6925466 0.85 ATM (0.55) CSNK2A2CSNK2BCSNK2A1ABCG2FABP4
SCHEMBL6691727 0.83 FABP4 (0.74) CSNK2A2CSNK2BCSNK2A1ABCG2FABP4
SCHEMBL6685674 0.81 FABP4 (0.74) FABP4FABP3
SCHEMBL6923369 0.81 FABP4 (0.50) CSNK2A2CSNK2BCSNK2A1ABCG2FABP4
SCHEMBL6925178 0.80 HDAC1 (0.70) CSNK2A2CSNK2BCSNK2A1ABCG2HDAC1
SCHEMBL30480036 0.80 HDAC1 (0.70) CSNK2A2CSNK2BCSNK2A1ABCG2HDAC1
SCHEMBL6925136 0.80 FABP4 (0.52) CSNK2A2CSNK2BCSNK2A1ABCG2FABP4

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