SCHEMBL7009182

SCHEMBL7009182

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 4/20 0.62
ADRA2C P18825 4/20 0.62
ADRA1A P35348 4/20 0.62
ADRA1B P35368 4/20 0.62
ADRA2A P08913 3/20 0.62
ADRA1D P25100 3/20 0.62
KCNH2 Q12809 3/20 0.62
DRD3 P35462 1/20 0.62
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 6/20 0.57
GLA P06280 6/20 0.57
HSD17B10 Q99714 5/20 0.57
GAA P10253 5/20 0.57
MAPK1 P28482 3/20 0.57
LMNA P02545 3/20 0.57
OPRM1 P35372 3/20 0.57
TP53 P04637 2/20 0.57
SLC22A1 O15245 2/20 0.57
ABCC4 O15439 2/20 0.57

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
SCHEMBL7013220 0.88 ADRA1A (0.56) ADRA2BADRA2CADRA1AADRA1BADRA2A
SCHEMBL7014073 0.87 ADRA1A (0.56) ADRA2BADRA2CADRA1AADRA1BADRA2A
SCHEMBL7008333 0.86 ADRA1A (0.53) ADRA2BADRA2CADRA1AADRA1BADRA2A
SCHEMBL7005847 0.85 KDM4E (0.59) ADRA2BADRA2CADRA1AADRA1BADRA2A
SCHEMBL7013497 0.85 ADRA1A (0.54) ADRA2BADRA2CADRA1AADRA1BADRA2A
Hydrochloric Acid SCHEMBL7652743 0.85 KDM4E (0.61) ADRA2BADRA2CADRA1AADRA1BADRA2A
SCHEMBL7649027 0.85 ADRA1D (0.44) ADRA2BADRA2CADRA1AADRA1BADRA2A
SCHEMBL7008954 0.85 ADRA1A (0.53) ADRA2BADRA2CADRA1AADRA1BADRA2A
SCHEMBL7011919 0.85 ADRA2B (0.53) ADRA2BADRA2CADRA1AADRA1BADRA2A
SCHEMBL7653694 0.84 ADRA1A (0.62) ADRA2BADRA2CADRA1AADRA1BADRA2A

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-0875506-B1 Quinoline and quinazoline compounds useful in therapy PFIZER LTD (GB) 2003-02-26 EP disclosed
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