SCHEMBL7654368

SCHEMBL7654368

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2cc1OC1CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
TLR9 Q9NR96 3/20 0.47
TLR7 Q9NYK1 3/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
GLA P06280 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
KCNH2 Q12809 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL7649027 0.86 ADRA1D (0.44) EHMT2EHMT1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7652743 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL6950743 0.85 AKR1C3 (0.39) EHMT2EHMT1KDM4EALDH1A1HPGD
SCHEMBL6951033 0.84 AKR1C3 (0.41) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL7653434 0.83 AKR1C3 (0.39) EHMT2EHMT1TLR9TLR7KDM4E
SCHEMBL7653453 0.82 TLR9 (0.49) EHMT2TLR9TLR7KDM4EHPGD
Hydrochloric Acid SCHEMBL7652032 0.81 TLR9 (0.49) EHMT2TLR9TLR7KDM4EHPGD
SCHEMBL7006705 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL7011047 0.79 KDM4E (0.47) EHMT2EHMT1KDM4EALDH1A1HPGD
SCHEMBL6767113 0.77 AKR1C3 (0.41) KDM4EALDH1A1HPGDHSD17B10ADRA2A

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