SCHEMBL7660745

SCHEMBL7660745

COc1cc2c(cc1OC)CN(c1cc(N)c3c(-c4cccnc4)c(OC)c(OC)cc3n1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE3A Q14432 2/20 0.41
PDE10A Q9Y233 2/20 0.41
PDE7A Q13946 1/20 0.41
CYP3A4 P08684 1/20 0.40
PDPK1 O15530 1/20 0.39
MAOB P27338 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7012470 0.84 ADRA1D (0.61) ADRA1DADRA1AADRA1BGAAMAPT
SCHEMBL7013687 0.84 ADRA1D (0.58) ADRA1DADRA1AADRA1BGAAMAPT
SCHEMBL7005481 0.79 ADRA1D (0.67) ADRA1DADRA1AADRA1BGAAMAPT
SCHEMBL7013446 0.77 ADRA1D (0.46) ADRA1DADRA1AADRA1BKMT2A
Potassium Ion SCHEMBL7666970 0.75 ADRA1D (0.45) ADRA1DADRA1AADRA1BKMT2A
SCHEMBL7014096 0.75 ADRA1D (0.45) ADRA1DADRA1AADRA1BMAPT
Abanoquil SCHEMBL528781 0.73 ADRA1D (1.00) ADRA1DADRA1AADRA1BKMT2AMAOB
SCHEMBL7011426 0.73 ADRA1D (0.44) ADRA1DADRA1AADRA1BGAAMAPT
SCHEMBL6764961 0.73 ADRB1 (0.45) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL7014166 0.72 ADRA1D (0.45) ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed