SCHEMBL9871968

SCHEMBL9871968

CN(C)CCc1cccc(OCCCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 2/20 0.54
KMT2A Q03164 1/20 0.54
MAOB P27338 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ACHE P22303 9/20 0.50

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
SCHEMBL9871916 0.96 RAB9A (0.59) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL9871275 0.94 RAB9A (0.53) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL9871761 0.93 RAB9A (0.63) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL9872868 0.91 RAB9A (0.58) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL9872136 0.88 RAB9A (0.60) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL9871929 0.88 RAB9A (0.57) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL9872622 0.84 RAB9A (0.62) RAB9AMAPTSMN1; SMN2TDP1KMT2A
Dimethylamine SCHEMBL9871284 0.84 RAB9A (0.54) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL2202509 0.83 RAB9A (0.57) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL2206692 0.83 RAB9A (0.57) RAB9AMAPTSMN1; SMN2TDP1KMT2A

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