SCHEMBL7478608

SCHEMBL7478608

CN1[C@H]2CCC(NC(=O)c3n[nH]c4ccccc34)[C@@H]1CC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 5/20 0.60
▸ HTR3A P46098 2/20 0.60
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ YTHDC1 Q96MU7 1/20 0.52
▸ SMYD3 Q9H7B4 1/20 0.51
▸ USP30 Q70CQ3 1/20 0.51
▸ RIPK1 Q13546 1/20 0.49
▸ FLT3 P36888 2/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ DYRK1A Q13627 2/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7478614 1.00 CHRNA7 (0.60) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL12441910 0.82 CHRNA7 (0.64) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL2086156 0.82 CHRNA7 (0.64) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL2086084 0.81 NPC1 (0.67) CHRNA7HTR3ANPC1RAB9ASMYD3
SCHEMBL7422074 0.81 NPC1 (0.49) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL2089327 0.80 CHRNA7 (0.64) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL12441936 0.77 NPC1 (0.68) CHRNA7HTR3ANPC1RAB9ASMYD3
SCHEMBL2086948 0.77 NPC1 (0.68) CHRNA7HTR3ANPC1RAB9ASMYD3
SCHEMBL2087490 0.77 NPC1 (0.68) CHRNA7HTR3ANPC1RAB9ASMYD3
SCHEMBL29732688 0.76 NPC1 (0.74) CHRNA7HTR3ANPC1RAB9ASMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117882-A 5-HT4 agonists and antagonists ELI LILLY AND COMPANY (US) 2000-09-12 — — US disclosed
US-6069152-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS ELI LILLY AND COMPANY (US) 2000-05-30 — — US disclosed
WO-1999017772-A1 5HT4 AGONISTS AND ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-04-15 — — WO disclosed
EP-0908459-A1 5-HT4 Agonists and antagonists ELI LILLY AND COMPANY (US) 1999-04-14 — — EP disclosed
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