SCHEMBL4355028

SCHEMBL4355028

OCC(NC1CCN(CCCc2c[nH]c3ccc(-n4ccnc4)cc23)CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 1.00
HTR1B P28222 20/20 1.00
HTR1A P08908 1/20 0.72
HTR2A P28223 1/20 0.72

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
SCHEMBL4578518 1.00 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4578434 0.91 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7481503 0.91 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4579728 0.91 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4339045 0.90 HTR1D (0.84) HTR1DHTR1B
SCHEMBL8647291 0.90 HTR1D (0.84) HTR1DHTR1B
SCHEMBL4577573 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4344021 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4338862 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8649478 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796675-A4 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO INC (US) 2009-03-04 EP claimed
EP-1796675-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES Merck & Co., Inc. (US) 2007-06-20 EP claimed
WO-2006039252-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO., INC. (US) 2006-04-13 WO claimed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US claimed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed