SCHEMBL9872622

SCHEMBL9872622

CN(C)Cc1cccc(OCCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
MAOB P27338 3/20 0.52
ACHE P22303 9/20 0.51
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL9871929 0.96 RAB9A (0.57) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9871029 0.94 RAB9A (0.66) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9871916 0.88 RAB9A (0.59) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9872868 0.87 RAB9A (0.58) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9871968 0.84 RAB9A (0.54) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9871275 0.83 RAB9A (0.53) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL11178851 0.83 RAB9A (0.67) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9860255 0.83 RAB9A (0.67) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL18732030 0.82 RAB9A (0.62) RAB9AMAPTSMN1; SMN2KMT2ATDP1
Dimethylamine SCHEMBL9871927 0.82 MAPT (0.62) RAB9AMAPTSMN1; SMN2KMT2ATDP1

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-5021429-A Histamine h2-antagonists; antisecretory-antiallergen agent; skin disorders and peptic ulcers ALLEN & HANSBURYS LIMITED (GB) 1991-06-04 US disclosed