SCHEMBL7181656

SCHEMBL7181656

CC1CNCCN1c1cccc2c1C[C@H](NC(=O)c1ccc(N3CCOCC3)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ DRD2 P14416 6/20 0.41
▸ DRD3 P35462 6/20 0.41
▸ HTR2A P28223 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TAOK3 Q9H2K8 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTR3A P46098 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL7181651 1.00 USP30 (0.44) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL7181646 1.00 USP30 (0.44) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL7031763 0.92 MTNR1A (0.43) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL7024099 0.92 MTNR1A (0.43) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL7179973 0.90 USP30 (0.42) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL7179971 0.90 USP30 (0.42) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL7179968 0.90 USP30 (0.42) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL6820477 0.88 USP30 (0.49) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL6820526 0.88 USP30 (0.49) USP30MTNR1AMTNR1BDRD2DRD3
SCHEMBL6820453 0.83 DRD2 (0.50) USP30MTNR1AMTNR1BDRD2DRD3

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
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 — — EP claimed
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