SCHEMBL87921

SCHEMBL87921

C1CCCC(N2CCCCC2)CC1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.48
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SLC18A3 Q16572 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2107230 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL22216666 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL60131 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL1828721 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL728754 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL24782761 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21422636 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21057384 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21057351 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL11147768 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724827-A Fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-03-03 CN disclosed
WO-2021063373-A1 TRPV1 AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京清普生物科技有限公司 2021-04-08 WO disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
CN-101242846-A Synergistic modulation of FLT3 kinase using thienopyrimidine and thienopyridine kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
CN-101242845-A Synergistic modulation of FLT3 kinase using a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
CN-101242847-A Synergistic modulation of FLT3 kinase using aminopyrimidines kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed