SCHEMBL8790419

SCHEMBL8790419

c1ccc2c(CC3CCCCN3)c[nH]c2c1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.91
HTR2A P28223 2/20 0.61
SLC6A4 P31645 1/20 0.60
POLB P06746 1/20 0.54
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 1/20 0.52
HTR1A P08908 2/20 0.50
HTR1B P28222 2/20 0.50
HTR2C P28335 2/20 0.50
HTR1F P30939 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR1D P28221 1/20 0.50
HTR7 P34969 1/20 0.50

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
SCHEMBL31403 0.95 HTR6 (1.00) HTR6HTR2ASLC6A4KMT2AHTR1A
SCHEMBL30675329 0.95 HTR6 (1.00) HTR6HTR2ASLC6A4KMT2AHTR1A
SCHEMBL1445683 0.95 HTR6 (1.00) HTR6HTR2ASLC6A4KMT2AHTR1A
SCHEMBL30898 0.95 HTR6 (1.00) HTR6HTR2ASLC6A4KMT2AHTR1A
SCHEMBL30675328 0.81 HTR6 (0.74) HTR6HTR2ASLC6A4LMNAHTT
SCHEMBL24178288 0.81 HTR6 (0.69) HTR6HTR2ASLC6A4POLBKMT2A
SCHEMBL30361714 0.81 HTR6 (0.69) HTR6HTR2ASLC6A4POLBKMT2A
SCHEMBL24178316 0.81 HTR6 (0.69) HTR6HTR2ASLC6A4POLBKMT2A
SCHEMBL733304 0.80 SLC6A4 (0.73) HTR6SLC6A4LMNAHTTKMT2A
SCHEMBL23802750 0.80 HTR6 (0.68) HTR6HTR2ASLC6A4POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039322-C Indole derivatives PFIZER (US) 1998-07-29 CN 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
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