SCHEMBL5111613

SCHEMBL5111613

C1=C(N2CCCC2)CCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
USP2 O75604 3/20 0.35
INMT O95050 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
NPSR1 Q6W5P4 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX12 P18054 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL8992014 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL497507 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL8992009 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL23486255 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL8420655 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL23661069 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL6699994 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL11110396 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL14818806 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1
SCHEMBL11082560 1.00 ALDH1A1 (0.35) ALDH1A1MAPTUSP2INMTPSMB1

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
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US claimed
EP-3250559-A1 SPIROFURANONE COMPOUNDS, DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2017-12-06 EP disclosed
WO-2016120879-A1 SPIROFURANONE COMPOUNDS, DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-08-04 WO disclosed
US-5496943-A USING UNSATURATED ACYLISOCYANATE COMPOUNDS TO FORM OXAZOLINES, PYRANS WITH AMINOCARBONYLHETERO SUBSTITUTION AND GLUTARIMIDE DERIVATIVES AS CHEMICAL INTERMEDIATES NIPPON PAINT CO., LTD. (JP) 1996-03-05 US disclosed
EP-0503958-A2 Heterocyclic compounds and their production Nippon Paint Co., Ltd. (JP) 1992-09-16 EP disclosed
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4263298-A Hydrazino bicyclic pyridazines as hypertensives SANDOZ LTD. (CH) 1981-04-21 US disclosed
US-4181723-A HYPOTENSIVE AGENTS SANDOZ LTD. (CH) 1980-01-01 US disclosed
US-3997557-A ANTIARRHYTHMIA, CNS DEPRESSANT, ANTIINFLAMMATORY, HYPOTENSIVE AMERICAN HOECHST CORPORATION (US) 1976-12-14 US disclosed