SCHEMBL9768636

SCHEMBL9768636

NCCNCC(c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.70
GRIN2A Q12879 2/20 0.70
HRH1 P35367 4/20 0.54
HTR2A P28223 4/20 0.54
TAAR1 Q96RJ0 1/20 0.50
KDM1A O60341 5/20 0.46
MAOB P27338 2/20 0.45
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL2938035 0.92 GRIN1 (0.71) GRIN1GRIN2AHRH1HTR2ATAAR1
SCHEMBL16935732 0.82 GRIN1 (0.48) GRIN1GRIN2AHRH1HTR2ATAAR1
SCHEMBL2185597 0.82 KDM4E (0.70) GRIN1GRIN2AKDM4EL3MBTL1KMT2A
SCHEMBL4204090 0.81 KCNH2 (0.65) GRIN1GRIN2AHRH1HTR2ATAAR1
SCHEMBL21896763 0.79 KDM4E (0.66) GRIN1GRIN2AKDM4EL3MBTL1KMT2A
SCHEMBL11381473 0.79 KDM4E (0.66) GRIN1GRIN2AKDM4EL3MBTL1KMT2A
SCHEMBL5099621 0.79 GRIN1 (0.50) GRIN1GRIN2AHRH1HTR2ASIGMAR1
SCHEMBL4403167 0.78 GRIN1 (0.64) GRIN1GRIN2AHRH1HTR2AKDM1A
SCHEMBL8804694 0.77 GRIN1 (0.44) GRIN1GRIN2AHRH1HTR2ATAAR1
SCHEMBL9662196 0.77 KCNH2 (0.69) GRIN1GRIN2ATAAR1KDM1AMAOB

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-118878812-A Preparation method and reaction system of polyether polyol 重庆市化工研究院有限公司 2024-11-01 CN disclosed
CN-117529329-A Compositions and methods for treating respiratory distress S.I.S舒洛夫创新科学有限公司 2024-02-06 CN disclosed
CN-112135528-A Composition of steviol glycoside and/or polysaccharide derivative thereof 伊比西(北京)植物药物技术有限公司 2020-12-25 CN disclosed
US-5021187-A In aqueous solutions iwth peroxy compounds; antisoilants; hydrophobic stains LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-06-04 US disclosed