SCHEMBL24423574

SCHEMBL24423574

CN1CCC(C(=O)NCc2cc3cc[nH]c3cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.44
▸ GSK3B P49841 5/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ F2 P00734 2/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ WNT1 P04628 2/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL24424559 0.81 KDM4E (0.52) ROCK2HPGDKDM4ELTA4HMAPT
SCHEMBL25090710 0.80 ROCK2 (0.44) DYRK1AGSK3BROCK2HPGDKDM4E
SCHEMBL25090827 0.79 KLKB1 (0.47) ROCK2F2ABL1HPGDKDM4E
SCHEMBL27731712 0.75 WDR5 (0.47) GSK3BROCK2ABL1MAPTLMNA
SCHEMBL27711111 0.74 ABL1 (0.45) DYRK1AGSK3BROCK2ABL1KDM4E
SCHEMBL10285108 0.74 KDM4E (0.51) DYRK1AGSK3BKDM4EMAPTLMNA
SCHEMBL22606683 0.74 CHRM4 (0.56) DYRK1AGSK3BKDM4EWNT1MAPT
SCHEMBL29584860 0.73 SMO (0.37) MAPT
SCHEMBL13621106 0.72 GAA (0.67) KDM4EHSD17B10MAPTLMNA
SCHEMBL4764375 0.70 ROCK2 (0.52) DYRK1AGSK3BROCK2ABL1WNT1

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
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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