SCHEMBL30239786

SCHEMBL30239786

O=C(O)C1(c2cnc(Cl)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.40
NAPRT Q6XQN6 1/20 0.36
AKR1C1 Q04828 2/20 0.32
MAP4K4 O95819 2/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL17202038 0.76 L3MBTL1 (0.44) MAP4K4MEN1KMT2ALMNAL3MBTL1
SCHEMBL23214268 0.76 OPRM1 (0.42) MEN1KMT2A
SCHEMBL29844920 0.76 OPRM1 (0.42) MEN1KMT2A
SCHEMBL31247665 0.73 NAPRT (0.47) NAPRTAKR1C1MAP4K4AKR1C3AKR1C2
SCHEMBL349552 0.73 NAPRT (0.47) NAPRTAKR1C1MAP4K4AKR1C3AKR1C2
SCHEMBL2143498 0.72 KDM4E (0.44) NAPRTAKR1C1CYP3A4LMNA
SCHEMBL29886318 0.70 MAP4K4 (0.46) AKR1C1MAP4K4MEN1KMT2AL3MBTL1
SCHEMBL28590075 0.70 MAP4K4 (0.46) AKR1C1MAP4K4MEN1KMT2AL3MBTL1
SCHEMBL31759481 0.70 NAPRT (0.33) SIRT6NAPRTAKR1C1MAP4K4AKR1C3
SCHEMBL20778447 0.69 AKR1C1 (0.36) AKR1C1MAP4K4AKR1C3AKR1C2MEN1

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
CN-110214135-B Indanyl amino pyrazinyl cyclopropane carboxylic acid, pharmaceutical composition and application thereof 勃林格殷格翰国际有限公司 2023-02-21 CN disclosed