SCHEMBL29457389

SCHEMBL29457389

CC(C)(C)OC(=O)N1CCCC(c2cnc(O)c(N)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.46
▸ ALOX5AP P20292 4/20 0.46
▸ FEN1 P39748 4/20 0.46
▸ TRPV3 Q8NET8 1/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ PRMT5 O14744 2/20 0.43
▸ TNK2 Q07912 1/20 0.42
▸ BACE1 P56817 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ SRC P12931 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40

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
SCHEMBL27211398 1.00 HPGDS (0.46) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL25343562 1.00 HPGDS (0.46) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL17898219 0.79 TRPV3 (0.50) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL19203194 0.78 HPGDS (0.46) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL30473720 0.77 HPGDS (0.48) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL25346096 0.77 HPGDS (0.48) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL27211270 0.77 HPGDS (0.48) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL9962296 0.77 TRPV3 (0.53) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL23705673 0.77 TRPV3 (0.46) HPGDSALOX5APFEN1TRPV3JAK2
SCHEMBL14991675 0.77 TRPV3 (0.46) HPGDSALOX5APFEN1TRPV3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 — — CN disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — WO disclosed
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