SCHEMBL7745474

SCHEMBL7745474

CC(C)CCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.60
MAPT P10636 6/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 5/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.49
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL6198859 0.84 KAT2B (0.80) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9563160 0.84 KAT2B (0.60) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28799465 0.83 KAT2B (0.55) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4077151 0.81 KAT2B (0.66) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7170020 0.81 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6200169 0.81 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20798658 0.80 MAPT (0.63) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12515298 0.80 KAT2B (0.69) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8720672 0.80 KAT2B (0.78) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6198359 0.80 KAT2B (0.78) KAT2BMAPTNPC1RAB9ASMN1; SMN2

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
CN-109311882-A adenine derivatives as protein kinase inhibitors BCI制药公司 2019-02-05 CN disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed
US-5686449-A 1,5-benzodiazepines useful as gastrinor CCK-antagonists GLAXO WELLCOME S.P.A. (IT) 1997-11-11 US disclosed