SCHEMBL8790100

SCHEMBL8790100

CC(=O)N(F)c1ccc(F)c(F)c1I

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
EPHX2 P34913 2/20 0.33
GAA P10253 1/20 0.32
FSCN1 Q16658 1/20 0.32

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
SCHEMBL4849068 0.69 GAA (0.45) CES2CES1EPHX2GAAFSCN1
SCHEMBL27662352 0.69 L3MBTL1 (0.45) CES2CES1GAA
SCHEMBL27661498 0.68 GAA (0.39) CES2CES1GAA
SCHEMBL27854949 0.66 CA3 (0.42) CES2CES1
SCHEMBL24534986 0.66 FSCN1 (0.47) CES2CES1EPHX2FSCN1
SCHEMBL13488 0.63 CES2 (0.36) CES2CES1
SCHEMBL6415006 0.63 CES2 (0.50) CES2CES1
SCHEMBL7139876 0.62 GAA (0.41) CES2CES1EPHX2GAAFSCN1
SCHEMBL27974207 0.62 LMNA (0.50) GAA
SCHEMBL16209298 0.61 FSCN1 (0.46) FSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592438-B1 INDOLE DERIVATIVES PFIZER (US) 1997-08-27 EP disclosed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 US disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 US disclosed
US-5559129-A SEROTONIN (5HT1) ANTAGONIST FOR TREATMENT OF DEPRESSION, ANXIETY, EATING DISORDERS, OBESITY, DRUG ABUSE, HEADACHES, AND PAIN PFIZER INC (US) 1996-09-24 US disclosed
US-5559246-A PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST PFIZER INC. (US) 1996-09-24 US disclosed
US-5545644-A SEROTONIN AGONISTS; HYPOTENSIVE AND ANXIOLYTIC AGENTS; ANALGESICS; ANTIDEPRESSANTS; EATING DISORDERS; DRUG ABUSE; HEADACHES; VASCULAR DISORDERS PFIZER INC. (US) 1996-08-13 US disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO disclosed