SCHEMBL9872136

SCHEMBL9872136

CN(C)CCCc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.57
HPGD P15428 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 2/20 0.48
NR1I2 O75469 1/20 0.47
POLB P06746 1/20 0.47
AHR P35869 1/20 0.47
RAD52 P43351 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MAOB P27338 3/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL9872868 0.95 RAB9A (0.58) RAB9AKMT2ATDP1L3MBTL1HPGD
SCHEMBL9871275 0.94 RAB9A (0.53) RAB9AKMT2ATDP1L3MBTL1MAPT
SCHEMBL9871761 0.93 RAB9A (0.63) RAB9AKMT2ATDP1L3MBTL1HPGD
SCHEMBL9871916 0.89 RAB9A (0.59) RAB9AKMT2ATDP1L3MBTL1HPGD
SCHEMBL9871968 0.88 RAB9A (0.54) RAB9AKMT2ATDP1L3MBTL1MAPT
SCHEMBL9871029 0.85 RAB9A (0.66) RAB9AKMT2ATDP1L3MBTL1HPGD
SCHEMBL2206182 0.83 RAB9A (0.65) RAB9AKMT2ATDP1L3MBTL1HPGD
SCHEMBL10668658 0.82 RAB9A (0.62) RAB9ATDP1L3MBTL1HPGDNPSR1
SCHEMBL9872622 0.82 RAB9A (0.62) RAB9AKMT2ATDP1L3MBTL1HPGD
SCHEMBL2202629 0.82 RAB9A (0.65) RAB9AKMT2ATDP1L3MBTL1HPGD

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