SCHEMBL6567735

SCHEMBL6567735

O=C(O)N1CCC1c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
CYP2C19 P33261 1/20 0.42
RIPK1 Q13546 3/20 0.39
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
LMNA P02545 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
SCD5 Q86SK9 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL22092373 1.00 KDM4E (0.42) KDM4ECYP2C19RIPK1KMT2AL3MBTL1
SCHEMBL5649137 0.89 RIPK1 (0.42) KDM4ECYP2C19RIPK1HCRTR1HCRTR2
SCHEMBL5649142 0.89 RIPK1 (0.42) KDM4ECYP2C19RIPK1HCRTR1HCRTR2
SCHEMBL6646886 0.88 CPT1A (0.42) KDM4ECYP2C19RIPK1SCD5
SCHEMBL27860901 0.81 RIPK1 (0.36) RIPK1RAB9AHCRTR1HCRTR2
SCHEMBL17026995 0.73 RIPK1 (0.67) RIPK1SCD5
SCHEMBL1329027 0.70 HSD11B1 (0.55) RIPK1NPC1RAB9ASCD5
SCHEMBL3361751 0.69 PRMT5 (0.56) RIPK1NPC1RAB9ASCD5
SCHEMBL29785721 0.69 PRMT5 (0.56) RIPK1NPC1RAB9ASCD5
SCHEMBL20742564 0.69 CPT1A (0.36) RIPK1HCRTR1HCRTR2SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440709-A2 Combinations comprising cGMP PDE5 inhibitors. Pfizer Limited (GB) 2004-07-28 EP disclosed
EP-1285658-A2 Treatments for female sexual dysfunction Pfizer Productors Inc. (US) 2003-02-26 EP disclosed
EP-1176147-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2002-01-30 EP disclosed
EP-1176142-A1 Process for the preparation of pyrazoles PFIZER INC. (US) 2002-01-30 EP disclosed
EP-1149579-A2 Use of an estrogen agonist/antagonist for treating female sexual dysfunction Pfizer Products Inc. (US) 2001-10-31 EP disclosed
EP-1125582-A2 Use of estrogen agonists / antagonists for the treatment of sexual dysfunction Pfizer Products Inc. (US) 2001-08-22 EP disclosed