SCHEMBL7833641

SCHEMBL7833641

C[N+]1(Cc2ccccc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.43
CHRNA7 P36544 5/20 0.42
SIGMAR1 Q99720 3/20 0.41
GBA1 P04062 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HIF1A Q16665 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 2/20 0.38
ACHE P22303 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36

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
SCHEMBL3681307 0.81 CHRNA7 (0.60) CHRM3CHRNA7CHRNB2CHRNA4HIF1A
Hydrochloric Acid SCHEMBL2458828 0.79 CHRNA7 (0.58) CHRM3CHRNA7CHRNB2CHRNA4HIF1A
SCHEMBL10256901 0.79 CHRNB2 (0.61) CHRM3CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL724930 0.79 CHRNB2 (0.61) CHRM3CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL12396126 0.79 CHRNA7 (0.45) CHRM3CHRNA7CHRNB2CHRNA4HIF1A
Iodide SCHEMBL3691022 0.79 CHRNA7 (0.63) CHRM3CHRNA7CHRNB2CHRNA4ALDH1A1
Water SCHEMBL3683454 0.79 CHRNA7 (0.58) CHRM3CHRNA7CHRNB2CHRNA4HIF1A
SCHEMBL15496530 0.78 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4MEN1ALDH1A1
Water SCHEMBL723735 0.78 CHRNB2 (0.59) CHRM3CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL6440687 0.78 HIF1A (0.47) SIGMAR1GBA1CHRNB2CHRNA4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644379-B1 Method of producing a planographic printing plate FUJIFILM CORP (JP) 2014-10-15 EP disclosed
EP-1095042-A1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) Bayer Aktiengesellschaft (DE) 2001-05-02 EP disclosed
WO-2000004024-A1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 WO disclosed