SCHEMBL8894634

SCHEMBL8894634

NCCCCCc1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.36
HRH3 Q9Y5N1 4/20 0.36
HRH4 Q9H3N8 3/20 0.36
HRH2 P25021 2/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
DNM1 Q05193 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 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
SCHEMBL5663768 0.98 HRH3 (0.34) HRH1HRH3HRH4HRH2
Hydrochloric Acid SCHEMBL3009055 0.89 HRH4 (0.31) HRH3HRH4
SCHEMBL13411814 0.89 L3MBTL1 (0.36)
SCHEMBL16752678 0.89 L3MBTL1 (0.36)
SCHEMBL10641491 0.89 L3MBTL1 (0.36)
SCHEMBL16752719 0.89 L3MBTL1 (0.36)
SCHEMBL2705361 0.87 L3MBTL1 (0.32)
SCHEMBL1488954 0.82
SCHEMBL3872946 0.82 ALDH1A1 (0.33) LMNA
Hydrochloric Acid SCHEMBL9928911 0.80 HRH2 (0.31) HRH3HRH4HRH2LMNA

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
US-5599791-A BACTERICIDE ACTIVE AGAINST GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA GRUPPO LEPETIT SPA (IT) 1997-02-04 US disclosed
EP-0565567-B1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS LEPETIT SPA (IT) 1995-01-18 EP disclosed
WO-1992012172-A1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS GRUPPO LEPETIT S.P.A. (IT) 1992-07-23 WO disclosed
EP-0494078-A1 Amides of antibiotic ge 2270 factors GRUPPO LEPETIT S.p.A. (IT) 1992-07-08 EP disclosed