SCHEMBL29964865

SCHEMBL29964865

COc1ccc(C(N[C@H](CCCNC(=N)N)C(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.46
KMT2A Q03164 1/20 0.40
C3AR1 Q16581 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BMP1 P13497 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CASR P41180 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37

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
SCHEMBL9661340 0.90 C3AR1 (0.43) KIF11C3AR1CNR1CNR2ITGB3
SCHEMBL9661344 0.90 C3AR1 (0.43) KIF11C3AR1CNR1CNR2ITGB3
Hydrochloric Acid SCHEMBL9659549 0.89 C3AR1 (0.42) KIF11C3AR1CNR1CNR2ITGB3
Hydrochloric Acid SCHEMBL9659539 0.89 C3AR1 (0.42) KIF11C3AR1CNR1CNR2ITGB3
Hydrochloric Acid SCHEMBL10871326 0.84 NPY4R (0.42) KIF11C3AR1BMP1
SCHEMBL17274480 0.83 KIF11 (0.50) KIF11KCNH2ITGB3ITGA2B
SCHEMBL7603846 0.83 KIF11 (0.50) KIF11KCNH2ITGB3ITGA2B
SCHEMBL31297047 0.81 MEN1 (0.45) KIF11KMT2A
SCHEMBL29549032 0.81 KIF11 (0.50) KIF11KMT2ANPC1RAB9ACNR1
SCHEMBL29549080 0.81 KIF11 (0.50) KIF11KMT2ANPC1RAB9ACNR1

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
EP-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed