SCHEMBL8625229

SCHEMBL8625229

[c]1nnc(CCN2CCCCC2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HRH3 Q9Y5N1 12/20 0.38
SIGMAR1 Q99720 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SLC6A3 Q01959 2/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
HRH4 Q9H3N8 4/20 0.34
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7621948 0.67 CYP1A2 (0.42) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1
SCHEMBL7455224 0.64 ALOX15 (0.55) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1
SCHEMBL7312043 0.64 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1
SCHEMBL2643824 0.62 HRH3 (0.38) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1
SCHEMBL1854770 0.61 CYP1A2 (0.43) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1
SCHEMBL28805353 0.61 HRH3 (0.37) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1
SCHEMBL4247408 0.61 CYP1A2 (0.43) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1
SCHEMBL23828671 0.60 HRH3 (0.69) L3MBTL1CYP1A2HRH3SIGMAR1MEN1
SCHEMBL5466977 0.60 HRH3 (0.69) L3MBTL1CYP1A2HRH3SIGMAR1MEN1
SCHEMBL12826 0.60 HRH3 (0.69) L3MBTL1CYP1A2HRH3SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed