SCHEMBL4760903

SCHEMBL4760903

CC(C)NC(=O)N1CCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.64
NPC1 O15118 10/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 1/20 0.64
TP53 P04637 1/20 0.63
NOTUM Q6P988 1/20 0.63
ALDH1A1 P00352 1/20 0.61
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
TAS1R2 Q8TE23 1/20 0.61
POLB P06746 1/20 0.61
TRPA1 O75762 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58
ACE P12821 1/20 0.58
MAPK1 P28482 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL17169484 0.90 NOTUM (0.55) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL13884527 0.86 NOTUM (0.58) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL22332044 0.84 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL13884531 0.84 USP2 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL5521225 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL13497358 0.83 TMPRSS2 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL6664135 0.81 PSMB1 (0.60) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL18766820 0.80 PSMB1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL18766821 0.80 PSMB1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL10423207 0.80 ACE (0.62) RAB9ANPC1SMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017063491-A1 UREA PEPTOID BORIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京大学 2017-04-20 WO disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed