SCHEMBL9166944

SCHEMBL9166944

c1cc(N(C2CCCCC2)C2CCCCC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
TSHR P16473 3/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
USP2 O75604 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 3/20 0.36
EPHX1 P07099 2/20 0.36
CYP19A1 P11511 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP11B2 P19099 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL24327381 0.98 AOC3 (0.46) AOC3TSHRMAPK1ALDH1A1POLB
SCHEMBL4492651 0.84 HRH4 (0.38) AOC3ALDH1A1USP2MEN1KMT2A
SCHEMBL14817555 0.77 HRH3 (0.47) AOC3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15031168 0.77 HRH3 (0.47) AOC3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL620016 0.77 KDM4E (0.49) ALDH1A1USP2MEN1KMT2ACYP3A4
SCHEMBL6028788 0.76 CHRM5 (0.59) AOC3TSHRMAPK1ALDH1A1POLB
SCHEMBL27837296 0.76 CYP11B2 (0.50) AOC3ALDH1A1POLBMEN1KMT2A
SCHEMBL17046065 0.76 KDM4E (0.47) ALDH1A1USP2MEN1KMT2ACYP3A4
SCHEMBL24537399 0.76 KDM4E (0.47) ALDH1A1USP2MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL2140316 0.76 KDM4E (0.47) ALDH1A1USP2MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220102651-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL MODULE, POWER SUPPLY MODULE, AND ELECTRONIC DEVICE RICOH COMPANY, LTD. (JP) 2022-03-31 US disclosed
EP-0483479-B1 Pyridiniumsalts containing alkoxysilyl groups HUELS CHEMISCHE WERKE AG (DE) 1995-03-08 EP disclosed
US-5371216-A Pyridinium salts containing alkoxysilyl groups HULS AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-5235051-A PYRIDINIUM SALTS CONTAINING ALKOXYSILYL GROUPS HULS AKTIENGESELLSCHAFT (DE) 1993-08-10 US disclosed
EP-0483479-A1 Pyridiniumsalts containing alkoxysilyl groups HÜLS AKTIENGESELLSCHAFT (DE) 1992-05-06 EP disclosed