SCHEMBL11190084

SCHEMBL11190084

CC(=O)Oc1cc(OC(C)CCCc2ccccc2)cc2c1[C@@H]1CC(=O)CC[C@H]1CN2C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.35
▸ PDE4B Q07343 3/20 0.35
▸ PDE4C Q08493 3/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ XIAP P98170 2/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ ELANE P08246 1/20 0.31

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
SCHEMBL11367658 1.00 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL11031529 0.88 ACE2 (0.37) ACE2
SCHEMBL11468602 0.86 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL11213379 0.84 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL11269355 0.84 OGA (0.35) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL11090340 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL10474749 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL10474127 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL10474878 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL10474747 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405626-A TRANQUILIZERS, HYPOTENSIVE AGENTS; DIURETICS; VISION DEFECTS PFIZER INC. (US) 1983-09-20 — — US disclosed
US-4400385-A TRANQUILIZERS, HYPOTENSIVE AGENTS; DIURETICS; VISION DEFECTS PFIZER INC. (US) 1983-08-23 — — US disclosed
US-4380542-A ANALGESICS, TRANQUILIZERS PFIZER (US) 1983-04-19 — — US disclosed
US-4340737-A CNS AGENTS, HYPOTENSIVES, DIURETICS AND AGENTS FOR TREATMENT OF GLAUCOMA PFIZER INC. (US) 1982-07-20 — — US disclosed
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