SCHEMBL24301243

SCHEMBL24301243

CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)C=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ ERAP2 Q6P179 5/20 0.52
▸ IL1RN P18510 4/20 0.52
▸ ERAP1 Q9NZ08 3/20 0.52
▸ EDNRA P25101 1/20 0.51
▸ MMP2 P08253 3/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ ECE1 P42892 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ NFKB1 P19838 1/20 0.48

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
SCHEMBL24301268 0.94 IL1RN (0.55) TACR1ERAP2IL1RNERAP1
SCHEMBL22354631 0.93 TACR1 (0.58) TACR1MAPTMMP2MMP3KDM4E
SCHEMBL24302057 0.93 TACR1 (0.55) TACR1MAPTEDNRAMMP2MMP3
SCHEMBL24301257 0.92 ERAP2 (0.63) TACR1MAPTERAP2IL1RNERAP1
SCHEMBL24301420 0.92 ERAP2 (0.51) TACR1ERAP2IL1RNERAP1EDNRA
SCHEMBL24301218 0.92 TACR1 (0.52) TACR1MAPTEDNRAMMP2MMP3
SCHEMBL24301414 0.92 TACR1 (0.52) TACR1MAPTEDNRAMMP2MMP3
SCHEMBL24301283 0.91 ERAP2 (0.49) TACR1MAPTERAP2IL1RNERAP1
SCHEMBL24302221 0.91 TACR1 (0.54) TACR1MAPTERAP2IL1RNERAP1
SCHEMBL24301247 0.91 CCKBR (0.52) TACR1MAPTERAP2IL1RNERAP1

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-2022078462-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 — — WO disclosed
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