SCHEMBL8392196

SCHEMBL8392196

CNC(=O)CCC1CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
GAA P10253 2/20 0.47
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6392074 0.96 HPGD (0.60) HPGDGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL8393928 0.94 HPGD (0.63) HPGDGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL5245833 0.94 HPGD (0.63) HPGDGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL8391885 0.91
SCHEMBL8393328 0.88 NPC1 (0.44) HPGDGAASMN1; SMN2MEN1KMT2A
SCHEMBL8392069 0.83 NPC1 (0.48) HPGDGAASMN1; SMN2MEN1KMT2A
SCHEMBL6230136 0.82 TNKS2 (0.45) HPGDGAALMNATSHR
SCHEMBL8353488 0.82 NPC1 (0.50) HPGDSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL8391858 0.82 NPC1 (0.50) HPGDSMN1; SMN2MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6229688 0.80 TNKS2 (0.44) HPGDGAATSHR

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
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP 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