SCHEMBL9547115

SCHEMBL9547115

CC(=O)N1CCN(C(=O)CCCCN)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.50
GNAI1 P63096 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PAOX Q6QHF9 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.44
GNAO1 P09471 1/20 0.44
CYP1A2 P05177 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL25694557 0.98 GNAI3 (0.53) GNAI3GNAI1L3MBTL1TDP1MEN1
SCHEMBL3920258 0.86 TDP1 (0.48) GNAI3GNAI1L3MBTL1TDP1MEN1
Ammonia Solution, Strong SCHEMBL3990591 0.86 GNAI3 (0.55) GNAI3GNAI1L3MBTL1TDP1MEN1
SCHEMBL17652815 0.85 GNAI3 (0.50) GNAI3GNAI1L3MBTL1TDP1MEN1
Hydrochloric Acid SCHEMBL4524439 0.84 TDP1 (0.46) GNAI3GNAI1TDP1MEN1KMT2A
SCHEMBL13799648 0.83 ATM (0.58) GNAI3GNAI1L3MBTL1TDP1MEN1
SCHEMBL5244391 0.83 GNAI3 (0.62) GNAI3GNAI1L3MBTL1TDP1MEN1
SCHEMBL16221897 0.83 GNAI3 (0.53) GNAI3GNAI1L3MBTL1TDP1MEN1
SCHEMBL5243155 0.83 GNAI3 (0.72) GNAI3GNAI1L3MBTL1TDP1MEN1
SCHEMBL14540477 0.82 ATM (0.59) GNAI3GNAI1L3MBTL1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO claimed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed