SCHEMBL20910180

SCHEMBL20910180

COC(=O)N(C)Cc1cccc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
RAB9A P51151 7/20 0.44
P2RX7 Q99572 1/20 0.41
NPC1 O15118 6/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GBA1 P04062 1/20 0.40
TSHR P16473 1/20 0.40
GRM5 P41594 2/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL6840356 0.86 MEN1 (0.45) MEN1KMT2AOPRM1OPRD1RAB9A
SCHEMBL20890507 0.84 CHRNB2 (0.44) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20890082 0.84 ADORA2A (0.42) MEN1KMT2AOPRM1OPRD1SMN1; SMN2
SCHEMBL6840494 0.82 RAB9A (0.43) MEN1KMT2AOPRM1OPRD1RAB9A
SCHEMBL10305062 0.79 RAB9A (0.41) MEN1KMT2AOPRM1OPRD1RAB9A
SCHEMBL3508756 0.78 MEN1 (0.49) MEN1KMT2AOPRM1OPRD1RAB9A
SCHEMBL12788604 0.78 MEN1 (0.42) MEN1KMT2AOPRM1OPRD1RAB9A
SCHEMBL14547221 0.78 RAB9A (0.40) MEN1KMT2AOPRM1OPRD1RAB9A
SCHEMBL9512579 0.77 EGFR (0.42) MEN1KMT2AOPRM1OPRD1RAB9A
SCHEMBL676887 0.76 SMN1; SMN2 (0.47) MEN1KMT2ARAB9ANPC1MAPT

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
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed