SCHEMBL7656060

SCHEMBL7656060

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2c(OC(C)C)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.48
ADRA1B P35368 5/20 0.48
ADRA2A P08913 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
ADRA1D P25100 3/20 0.48
KCNH2 Q12809 3/20 0.48
DRD3 P35462 1/20 0.48
CFD P00746 4/20 0.47
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
GLA P06280 5/20 0.44
HSD17B10 Q99714 4/20 0.44
GAA P10253 4/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
SLC22A1 O15245 2/20 0.44
ABCC4 O15439 2/20 0.44
LMNA P02545 2/20 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
SCHEMBL6765694 0.87 ADRA1A (0.50) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL6946914 0.87 CFD (0.50) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL6765436 0.83 ADRA1A (0.47) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL7653518 0.83 CFD (0.50) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL6766548 0.82 CFD (0.54) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL7010612 0.82 ADRA1A (0.46) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL7014090 0.81 ADRA1A (0.45) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL7014811 0.80 ADRA1A (0.44) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL6762612 0.79 CFD (0.49) ADRA1AADRA1BCFD
SCHEMBL7009182 0.79 ADRA2B (0.62) ADRA1AADRA1BADRA2AADRA2BADRA2C

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-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 US disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 EP disclosed