SCHEMBL4714587

SCHEMBL4714587

NC(=O)CC1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
FFAR1 O14842 1/20 0.47
PPARD Q03181 2/20 0.44
IDO1 P14902 2/20 0.43
PIN1 Q13526 1/20 0.43
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.42
RET P07949 1/20 0.42
HTR2A P28223 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL6184833 1.00 HTR6 (0.51) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL30572310 0.90 BLM (0.50) IDO1BLMTSHR
SCHEMBL1725811 0.90 BLM (0.50) IDO1BLMTSHR
SCHEMBL7845908 0.84 FFAR1 (0.62) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL1567606 0.84 MTNR1A (0.51) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL7847075 0.84 FFAR1 (0.62) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL1470461 0.84 FFAR1 (0.62) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL15882484 0.83 MTNR1A (0.55) HTR6MTNR1AMTNR1BIDO1PIN1
SCHEMBL17335656 0.83 MTNR1A (0.55) HTR6MTNR1AMTNR1BIDO1PIN1
SCHEMBL14356155 0.83 MTNR1B (0.50) HTR6MTNR1AMTNR1BPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210108245-A1 Enantioselective Biocatalytic Preparation of 4-Cyano-Substituted 1-Aminoindane and Ozanimod PHARMAZELL GMBH (DE) 2021-04-15 US disclosed
EP-3775253-A1 ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD Pharmazell GmbH (DE) 2021-02-17 EP disclosed
WO-2019197571-A1 ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD UNIVERSITÄT BIELEFELD (DE) 2019-10-17 WO disclosed
EP-3553179-A1 ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD Universität Bielefeld (DE) 2019-10-16 EP disclosed
CN-103889963-A Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections SOUTHERN RES INST 2014-06-25 CN disclosed
EP-1998774-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION Actelion Pharmaceuticals Ltd. (CH) 2008-12-10 EP disclosed
WO-2007105177-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO disclosed
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed