SCHEMBL28932971

SCHEMBL28932971

CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(-c3ccccc3)cc2)C(c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.57
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
PTPN6 P29350 1/20 0.57
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RORC P51449 1/20 0.52
USP30 Q70CQ3 3/20 0.49
PDE4B Q07343 2/20 0.47
LMNA P02545 1/20 0.44
ROCK2 O75116 1/20 0.44
NAMPT P43490 1/20 0.44
DEGS1 O15121 1/20 0.44
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL23951815 1.00 TACR1 (0.57) TACR1PTPN2PTPN1PTPN6RAB9A
SCHEMBL23951495 0.93 TACR1 (0.61) TACR1PTPN2PTPN1PTPN6SMN1; SMN2
SCHEMBL23951618 0.92 TACR1 (0.50) TACR1PTPN2PTPN1PTPN6RAB9A
SCHEMBL29900783 0.92 TACR1 (0.50) TACR1PTPN2PTPN1PTPN6RAB9A
SCHEMBL23951819 0.92 TACR1 (0.50) TACR1PTPN2PTPN1PTPN6RAB9A
SCHEMBL28932948 0.91 TACR1 (0.57) TACR1PTPN2PTPN1PTPN6RAB9A
SCHEMBL29900719 0.91 TACR1 (0.57) TACR1PTPN2PTPN1PTPN6RAB9A
SCHEMBL23951368 0.91 TACR1 (0.57) TACR1PTPN2PTPN1PTPN6RAB9A
SCHEMBL23951384 0.89 TACR1 (0.51) TACR1PTPN2PTPN1PTPN6RAB9A
SCHEMBL23951821 0.87 TACR1 (0.54) TACR1PTPN2PTPN1PTPN6RAB9A

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
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed