SCHEMBL1103779

SCHEMBL1103779

C=C1NCc2ccc(cc2)CNCCN2CCNCc3ccc(cc3)CNCCN1C(=C)NCc1ccc(cc1)CNCC2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.32
HTR2C P28335 1/20 0.30

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
SCHEMBL1103773 0.81 APEX1 (0.43) APEX1HTR2C
SCHEMBL13933214 0.74 APEX1 (0.38) APEX1HTR2C
SCHEMBL1106631 0.71 APEX1 (0.35) APEX1HTR2C
SCHEMBL13493197 0.69 HTR2C (0.36) APEX1HTR2C
SCHEMBL13908254 0.67 APEX1 (0.32) APEX1
SCHEMBL15267971 0.65 APEX1 (0.40) APEX1HTR2C
SCHEMBL179204 0.62 APEX1 (0.64) APEX1HTR2C
SCHEMBL13044284 0.62 APEX1 (0.38) APEX1
SCHEMBL27351093 0.59 APEX1 (0.46) APEX1HTR2C
SCHEMBL13830412 0.58 APEX1 (0.52) APEX1

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
US-8153617-B2 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-8153618-B2 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. (US) 2012-04-10 US disclosed