SCHEMBL6954049

SCHEMBL6954049

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2cc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.60
ADRA1B P35368 7/20 0.60
ADRA2B P18089 3/20 0.60
ADRA2C P18825 3/20 0.60
ADRA2A P08913 2/20 0.60
ADRA1D P25100 2/20 0.60
KCNH2 Q12809 2/20 0.60
DRD3 P35462 1/20 0.60
KDM4E B2RXH2 3/20 0.58
GLA P06280 3/20 0.58
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
OPRM1 P35372 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58

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
Hydrochloric Acid SCHEMBL7652736 0.92 ADRA1A (0.57) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7653453 0.87 TLR9 (0.49) KDM4EHPGDMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7652032 0.87 TLR9 (0.49) KDM4EHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7658554 0.86 KDM4E (0.77) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7653694 0.85 ADRA1A (0.62) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7013220 0.85 ADRA1A (0.56) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL11082539 0.85 ADRA1A (0.61) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL11091139 0.83 ADRA1A (0.61) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7009182 0.83 ADRA2B (0.62) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL11082644 0.83 ADRA1A (0.59) ADRA1AADRA1BADRA2BADRA2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887344-B1 Quinolines and quinazolines useful in therapy PFIZER LTD (GB) 2003-12-03 EP disclosed
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