SCHEMBL7270539

SCHEMBL7270539

N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NCCCN1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37

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
SCHEMBL7271617 0.86 NPSR1 (0.46) ALDH1A1L3MBTL1TSHR
SCHEMBL7264370 0.82 ACE (0.43) KMT2ASMN1; SMN2TSHR
SCHEMBL29498244 0.81 DPP4 (0.40) —
SCHEMBL7270598 0.80 STAT3 (0.39) —
SCHEMBL10864928 0.80 OPRM1 (0.43) —
Bromide SCHEMBL10345828 0.79 OPRM1 (0.42) —
SCHEMBL7270547 0.79 KMT2A (0.35) KMT2AALDH1A1TSHRMAPK1BTK
SCHEMBL29498239 0.78 DPP4 (0.38) —
SCHEMBL10420021 0.78 OPRM1 (0.41) —
SCHEMBL7273227 0.78 CYP2C9 (0.47) ALDH1A1MAPK1HTT

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-4636567-A CNS DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1987-01-13 — — US disclosed
US-4610821-A CENTRAL NERVOUS SYSTEM, THYROTROPIN RELEASING HORMONE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-09-09 — — US disclosed
US-4564609-A NERVOUS SYSTEM DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-01-14 — — US disclosed
EP-0123444-A1 4-Substituted-2-azetidinone compound, process of producing the compounds, and medicaments containing the compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-10-31 — — EP disclosed
Send feedback