SCHEMBL8992002

SCHEMBL8992002

C1=CC(N2CCCC2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.35
L3MBTL3 Q96JM7 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MBTD1 Q05BQ5 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL2074309 0.98 TSHR (0.39) CHRNA7TSHRHTR2AL3MBTL3L3MBTL1
SCHEMBL3714891 0.82 KDM4E (0.34) CHRNA7HTR2AHTR6
SCHEMBL4855750 0.77 TSHR (0.36) CHRNA7TSHRL3MBTL3L3MBTL1MBTD1
SCHEMBL14011232 0.77 TSHR (0.36) CHRNA7TSHRL3MBTL3L3MBTL1MBTD1
SCHEMBL4855756 0.77 TSHR (0.36) CHRNA7TSHRL3MBTL3L3MBTL1MBTD1
SCHEMBL2519261 0.76 TSHR (0.44) TSHR
SCHEMBL14011022 0.75 TSHR (0.38) TSHRL3MBTL3L3MBTL1
SCHEMBL4858135 0.75 TSHR (0.38) TSHRL3MBTL3L3MBTL1
SCHEMBL4858132 0.75 TSHR (0.38) TSHRL3MBTL3L3MBTL1
SCHEMBL28982397 0.71 BRD4 (0.42) HTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264963-A Preparation and application of high-temperature-resistant high-activity catalyst with limited geometric configuration 青岛科技大学 2021-08-17 CN claimed
CN-113264963-A Preparation and application of high-temperature-resistant high-activity catalyst with limited geometric configuration 青岛科技大学 2021-08-17 CN 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