SCHEMBL10667791

SCHEMBL10667791

CN(C)CCCNc1ccccc1C(=O)Nc1cccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALOX12 P18054 1/20 0.44

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
SCHEMBL10666873 0.87 ALOX15 (0.46) ALOX15NPC1RAB9ATDP1TMEM97
Hydrochloric Acid SCHEMBL10670773 0.86 NPC1 (0.46) ALOX15NPC1RAB9ATDP1TMEM97
SCHEMBL10671097 0.82 PTGES (0.46) ALOX15TMEM97SIGMAR1GAAKDM4E
SCHEMBL10666343 0.82 PDE4A (0.44) ALOX15TMEM97SIGMAR1GAAKDM4E
Hydrochloric Acid SCHEMBL10670397 0.81 PTGES (0.45) ALOX15TMEM97SIGMAR1GAAKDM4E
Hydrochloric Acid SCHEMBL10673349 0.81 PTGES (0.43) ALOX15TMEM97SIGMAR1GAAKDM4E
SCHEMBL12767048 0.80 POLB (0.54) ALOX15POLBNPC1RAB9AKMT2A
SCHEMBL1499550 0.80 TSHR (0.58) POLBNPC1RAB9ATDP1KMT2A
SCHEMBL13116734 0.77 ALOX15 (0.61) ALOX15POLBNPC1RAB9ASIGMAR1
SCHEMBL8299753 0.76 TDP1 (0.68) POLBNPC1RAB9ATDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288201-A1 Process for the preparation of benzodiazepines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-10-26 — — EP disclosed
US-4749788-A Process for the preparation of aryl-pyrido(1,4) benzodiazepines A. H. ROBINS COMPANY, INCORPORATED (US) 1988-06-07 — — US disclosed
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