SCHEMBL8599330

SCHEMBL8599330

O=C(Cl)N1CCC2CCCCC21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD11B1 P28845 8/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
SLC18A3 Q16572 2/20 0.38
HSD17B1 P14061 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
DPP4 P27487 4/20 0.36
L3MBTL3 Q96JM7 1/20 0.34

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
SCHEMBL769748 0.92 NPC1 (0.50) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4445192 0.81 NPC1 (0.51) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL13254845 0.81 NPC1 (0.51) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL385345 0.81 NPC1 (0.51) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL18241087 0.80 L3MBTL1 (0.39) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL9864629 0.79 POLB (0.49) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4449748 0.79 DPP7 (0.50) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL10757334 0.79 NPC1 (0.50) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4449743 0.79 DPP7 (0.50) DPP7NPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL28414182 0.78 L3MBTL3 (0.38) NPC1RAB9ASMN1; SMN2POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020238179-A1 PYRROLOPYRIMIDINE COMPOUND AS SELECTIVE JAK2 INHIBITOR, SYNTHESIS METHOD THEREFOR AND USE THEREOF 上海勋和医药科技有限公司 2020-12-03 WO disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
US-5747420-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-05 US disclosed
EP-0711761-A1 Tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-05-15 EP disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
US-3937824-A COMPOSITIONS AND METHODS OF KILLING INSECTS AND ACARIDS USING ALKOXYIMINO CARBAMOYLOXY PHOSPHORUS COMPOUNDS VELSICOL CHEMICAL CORPORATION (US) 1976-02-10 US disclosed