SCHEMBL7651324

SCHEMBL7651324

COc1ccc(C#N)c(OC2CCCC2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
AR P10275 2/20 0.44
PDE4B Q07343 5/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE4A P27815 6/20 0.41
PDE4D Q08499 4/20 0.41
PDE4C Q08493 3/20 0.41
FPR2 P25090 1/20 0.41
KMT2A Q03164 1/20 0.39

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
SCHEMBL6954242 0.97 AR (0.47) PDE5APDE1APDE1BPDE1CAR
SCHEMBL27529570 0.87 PDE5A (0.44) PDE5APDE1APDE1BPDE1CAR
SCHEMBL4696500 0.80 ALDH1A1 (0.55) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL21823418 0.77 FPR2 (0.46) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL7653423 0.74 KMT2A (0.43) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL23880593 0.73 ALDH1A1 (0.52) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL4673334 0.73 NPC1 (0.47) PDE5APDE1APDE1BPDE1CAR
SCHEMBL21918751 0.72 FPR2 (0.45) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL6876868 0.71 PDE4A (0.44) PDE4BALDH1A1PDE4APDE4DPDE4C
SCHEMBL4940189 0.71 PDE4A (0.55) PDE5APDE1APDE1BPDE1CPDE4B

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