SCHEMBL8324866

SCHEMBL8324866

Cc1cc2cccnc2n(CCC(C)C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.49
TP53 P04637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 5/20 0.47
BRD4 O60885 1/20 0.41
CNR2 P34972 5/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 3/20 0.40

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
SCHEMBL1378586 0.86 RXFP1 (0.46) RXFP1TP53ALDH1A1MAPTCNR2
SCHEMBL1376936 0.80 CDK4 (0.54) RXFP1TP53ALDH1A1MAPTTHRB
SCHEMBL1523271 0.70 RXFP1 (0.51) RXFP1TP53ALDH1A1MAPTTHRB
SCHEMBL10376850 0.70 ALDH1A1 (0.49) ALDH1A1BRD4
SCHEMBL18053773 0.69 OPRL1 (0.45)
SCHEMBL10834756 0.69 ALDH1A1 (0.47) TP53ALDH1A1MAPT
SCHEMBL11603962 0.69 ALDH1A1 (0.50) RXFP1TP53ALDH1A1MAPTTHRB
SCHEMBL1522298 0.69 ALDH1A1 (0.50) RXFP1TP53ALDH1A1MAPTTHRB
SCHEMBL15552770 0.68 ATM (0.40) TP53ALDH1A1CNR2
SCHEMBL16767854 0.67 DAO (0.56) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed