SCHEMBL8790505

SCHEMBL8790505

COc1ccc2[nH]cc(CC3CCCCN3C)c2c1

nearest known ligand 0.93

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.93
HTR1A P08908 2/20 0.93
HTR6 P50406 9/20 0.76
HTR1D P28221 5/20 0.67
HTR2A P28223 2/20 0.61

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
SCHEMBL8790496 1.00 HTR1B (0.93) HTR1BHTR1AHTR6HTR1DHTR2A
SCHEMBL8790464 0.96 HTR1B (1.00) HTR1BHTR1AHTR6HTR1D
SCHEMBL5819877 0.96 HTR1B (1.00) HTR1BHTR1AHTR6HTR1D
SCHEMBL5819875 0.96 HTR1B (1.00) HTR1BHTR1AHTR6HTR1D
SCHEMBL8791176 0.92 HTR1B (0.86) HTR1BHTR1AHTR6HTR1DHTR2A
SCHEMBL8791182 0.92 HTR1B (0.86) HTR1BHTR1AHTR6HTR1DHTR2A
SCHEMBL8876146 0.92 HTR1B (0.86) HTR1BHTR1AHTR6HTR1DHTR2A
SCHEMBL30675338 0.90 HTR1B (0.87) HTR1BHTR1AHTR6HTR1DHTR2A
SCHEMBL8201469 0.86 HTR6 (1.00) HTR1BHTR1AHTR6HTR1D
SCHEMBL8201472 0.86 HTR6 (1.00) HTR1BHTR1AHTR6HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9003063-A None JP disclosed
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
JP-H093063-A PIPERIDINYLMETHYL SUBSTITUTED INDOLE DERIVATIVE PFIZER INC 1997-01-07 JP disclosed
EP-0747353-A2 Indole derivatives PFIZER INC. (US) 1996-12-11 EP disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 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-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-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
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO disclosed