SCHEMBL8304137

SCHEMBL8304137

O=C(O)C12CC(c3ccccc31)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C1 Q04828 1/20 0.37
NR3C1 P04150 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HSD11B1 P28845 1/20 0.34
HSD11B2 P80365 1/20 0.34
LMNA P02545 2/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL9035580 0.86 DRD1 (0.38) HTR2APTGS2KMT2AALDH1A1MEN1
SCHEMBL8601902 0.86 DRD1 (0.38) HTR2APTGS2KMT2AALDH1A1MEN1
SCHEMBL8602566 0.86 DRD1 (0.38) HTR2APTGS2KMT2AALDH1A1MEN1
SCHEMBL8601315 0.86 DRD1 (0.38) HTR2APTGS2KMT2AALDH1A1MEN1
SCHEMBL8601899 0.86 DRD1 (0.38) HTR2APTGS2KMT2AALDH1A1MEN1
SCHEMBL9035567 0.86 DRD1 (0.38) HTR2APTGS2KMT2AALDH1A1MEN1
SCHEMBL8602565 0.86 DRD1 (0.38) HTR2APTGS2KMT2AALDH1A1MEN1
SCHEMBL11261460 0.83 HTR2A (0.49) HTR2ANR3C1PTGS2KMT2AALDH1A1
SCHEMBL11492800 0.83 HTR2A (0.44) HTR2AAKR1C1NR3C1PTGS2KMT2A
SCHEMBL8659665 0.81 HTR2A (0.49) HTR2ATHRBTDP1AKR1C1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707579-B1 PIPERIDINYL SUBSTITUTED METHANOANTHRACENES AS D1/D2-ANTAGONISTS AND 5HT2-SEROTANIN-ANTAGONISTS ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5719166-A TREATING PSYCHOSES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-02-17 US disclosed
US-5681840-A ANTIDOPAMINERGIC AGENTS ZENECA LIMITED (GB) 1997-10-28 US disclosed
EP-0532177-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
EP-0532178-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
EP-0533344-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5550136-A ANTAGONISTS OF DOPAMINE D-2 RECEPTORS ZENECA LIMITED (GB) 1996-08-27 US disclosed
US-5512575-A ANTISEROTONINE AGENT ZENECA LIMITED (GB) 1996-04-30 US disclosed
EP-0707579-A1 PIPERIDINYL SUBSTITUTED METHANOANTHRACENES AS D1/D2-ANTAGONISTS AND 5HT2-SEROTANIN-ANTAGONISTS ZENECA LIMITED (GB) 1996-04-24 EP disclosed
US-5455246-A Treating neuropsychiatric disorders IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-10-03 US disclosed
US-5399568-A Dopamine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-21 US disclosed
WO-1995001974-A1 PIPERIDINYL SUBSTITUTED METHANOANTHRACENES AS D1/D2-ANTAGONISTS AND 5HT2-SEROTANIN-ANTAGONISTS ZENECA LIMITED (GB) 1995-01-19 WO disclosed
US-5266570-A Neuropsychiatric disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-30 US disclosed
EP-0533344-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-24 EP disclosed
EP-0532178-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-17 EP disclosed
EP-0532177-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-17 EP disclosed
US-4358620-A 9-Formyl-9,10-dihydro-9,10-methanoanthracene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-09 US disclosed
US-4224344-A Organic tricyclic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-09-23 US disclosed