SCHEMBL24307669

SCHEMBL24307669

NC(=O)CN1CCCCC1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.34
EPHX1 P07099 2/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 1/20 0.32
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
TACR1 P25103 2/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL23959763 0.94 TSHR (0.37) TSHRPOLBPKMKDM4EL3MBTL1
SCHEMBL4250620 0.78 CHRM2 (0.50) TSHRPOLBKDM4EL3MBTL1CHRM2
SCHEMBL6191432 0.77 ALDH1A1 (0.46) TSHRPOLBPKML3MBTL1
SCHEMBL15329448 0.77 TSHR (0.37) TSHRPOLBPKMKDM4EL3MBTL1
SCHEMBL5014206 0.76 KMT2A (0.48) TSHRKDM4E
SCHEMBL8813389 0.76 TSHR (0.40) TSHRPOLBPKMKDM4EL3MBTL1
SCHEMBL29952267 0.75 ACE (0.40) POLBL3MBTL1TACR1
SCHEMBL29952365 0.75 ACE (0.40) POLBL3MBTL1TACR1
SCHEMBL28570207 0.74 L3MBTL1 (0.47) POLBKDM4EL3MBTL1HTTTACR1
SCHEMBL8014533 0.74

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-2022081983-A1 INHIBITING HUMAN INTEGRIN A4B7 MORPHIC THERAPEUTIC, INC. (US) 2022-04-21 WO disclosed