SCHEMBL6958003

SCHEMBL6958003

CCCN(CCC)c1cccc2oc3ccc(N)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GFER P55789 1/20 0.41
MAPK1 P28482 1/20 0.37
EGFR P00533 5/20 0.36
IGF1R P08069 3/20 0.36
CRHR1 P34998 7/20 0.35
TP53 P04637 1/20 0.33
CA9 Q16790 1/20 0.33
SRC P12931 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
Hydrochloric Acid SCHEMBL6953097 0.99 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6962162 0.89 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6954185 0.87 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8115088 0.82 CRHR1 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27836600 0.74 ELANE (0.43) NPC1RAB9ASMN1; SMN2KMT2ACRHR1
SCHEMBL31586325 0.72 KDM4E (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL18903097 0.72 KDM4E (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL27854700 0.71 FAAH (0.40) NPC1RAB9AALDH1A1
SCHEMBL27854632 0.71 FAAH (0.40) NPC1RAB9AALDH1A1
SCHEMBL27836590 0.71 FAAH (0.40) NPC1RAB9AALDH1A1

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
EP-0929299-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS LILLY CO ELI (US) 2003-10-08 EP disclosed
US-5935992-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-10 US disclosed
US-5932739-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-03 US disclosed
US-5846995-A Substituted 1, 2, 3, 4-tetrahydro-2-dibenzofuranamines and 2-amino-cyclohepta (6, 7-B) Benzofurans ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed