SCHEMBL25680855

SCHEMBL25680855

CC(C)c1cnc(COC(=O)N(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.38
▸ CHRNA4 P43681 5/20 0.38
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CHRM2 P08172 2/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ ACHE P22303 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL25684093 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3RAB9A
SCHEMBL19756407 0.71 IDO1 (0.32) RXRARECQL
SCHEMBL19251150 0.71 FAAH (0.37) RAB9ANPC1ACHE
SCHEMBL19105520 0.69 TYR (0.31) —
SCHEMBL19756422 0.68 MAPT (0.39) RAB9ANPC1
SCHEMBL18252824 0.67 GABRA1 (0.32) RAB9ANPC1
SCHEMBL19251360 0.66 — —
SCHEMBL19756502 0.66 HSD17B10 (0.32) NPC1
SCHEMBL7694634 0.65 PRSS1 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3RAB9A
SCHEMBL11707907 0.65 L3MBTL1 (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 — — WO disclosed
Send feedback