SCHEMBL9864629

SCHEMBL9864629

CC(=O)N1CCC2CCCCC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
DPP7 Q9UHL4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRL1 P41146 1/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HSD11B1 P28845 5/20 0.38
SLC18A3 Q16572 2/20 0.38
HSD17B1 P14061 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL9731600 0.98 POLB (0.48) POLBTDP1DPP7NPC1RAB9A
SCHEMBL9731595 0.98 POLB (0.48) POLBTDP1DPP7NPC1RAB9A
SCHEMBL9732288 0.96 DPP7 (0.50) POLBTDP1DPP7NPC1RAB9A
SCHEMBL9732284 0.96 DPP7 (0.50) POLBTDP1DPP7NPC1RAB9A
SCHEMBL3264155 0.92 POLB (0.53) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL12335228 0.92 POLB (0.53) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL13102956 0.88 POLB (0.49) POLBTDP1DPP7NPC1RAB9A
SCHEMBL27630749 0.85 POLB (0.46) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL12506229 0.85 POLB (0.44) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL10519635 0.84 POLB (0.47) POLBTDP1DPP7NPC1RAB9A

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
US-5008400-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4933361-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
EP-0084164-B1 DERIVATIVES OF BICYCLIC AMINO ACIDS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE, AS WELL AS BICYCLIC AMINO ACIDS AS INTERMEDIATES, AND PROCESS FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-28 EP disclosed