SCHEMBL28686207

SCHEMBL28686207

O=C(O)c1cccc(N2CCC[C@H](O)C2)c1Cl.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.48
PTPN1 P18031 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
LMNA P02545 1/20 0.38
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28706635 1.00 NOTUM (0.48) NOTUMPTPN1TSHRALDH1A1IRAK4
SCHEMBL29627833 0.99 NOTUM (0.49) NOTUMPTPN1TSHRALDH1A1IRAK4
SCHEMBL29749785 0.99 NOTUM (0.49) NOTUMPTPN1TSHRALDH1A1IRAK4
SCHEMBL28686167 0.91 NOTUM (0.55) NOTUMPTPN1TSHRALDH1A1IRAK4
SCHEMBL28697278 0.91 NOTUM (0.55) NOTUMPTPN1TSHRALDH1A1IRAK4
SCHEMBL28698733 0.86 TSHR (0.47) NOTUMTSHRALDH1A1LMNAGAA
SCHEMBL29627823 0.84 TSHR (0.49) NOTUMTSHRALDH1A1LMNAGAA
SCHEMBL28691758 0.83 NOTUM (0.49) NOTUMPTPN1TSHRALDH1A1LMNA
SCHEMBL29627850 0.82 NOTUM (0.50) NOTUMPTPN1TSHRALDH1A1LMNA
SCHEMBL2409298 0.81 TSHR (0.52) NOTUMPTPN1TSHRALDH1A1NPC1

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-114072405-A Heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-02-18 CN disclosed