SCHEMBL19263447

SCHEMBL19263447

CCNCCOCCNC(C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
CYP2C19 P33261 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GLA P06280 1/20 0.32
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19387705 0.83 KDM4E (0.36) HTTCYP2C19MEN1KMT2AGLA
SCHEMBL24673657 0.81 KDM4E (0.38) HTTCYP2C19MEN1KMT2AGLA
SCHEMBL18773530 0.81 KDM4E (0.38) HTTCYP2C19MEN1KMT2AGLA
SCHEMBL19749146 0.81 KDM4E (0.38) HTTCYP2C19MEN1KMT2AGLA
SCHEMBL23787476 0.80 KDM4E (0.37) CYP2C19MEN1KMT2ACYP1A2
SCHEMBL22546863 0.80 CYP2C19 (0.39) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL6236876 0.79 CYP2C19 (0.47) HTTCYP2C19MEN1KMT2AGLA
SCHEMBL20671219 0.78 KDM4E (0.33)
SCHEMBL22861730 0.78 TSHR (0.40) HTTMEN1KMT2ATSHR
SCHEMBL25560014 0.78 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738631-B2 Compositions and methods for the treatment of neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-08-22 US disclosed