SCHEMBL20669232

SCHEMBL20669232

COC(=O)C1(N)CC2(CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.36
OPRM1 P35372 2/20 0.35
MMP3 P08254 2/20 0.34
MMP10 P09238 2/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL21553840 0.84 KDM4E (0.44) KDM4EKMT2ACYP1A2OPRM1LMNA
Hydrochloric Acid SCHEMBL7343047 0.82 KDM4E (0.42) KDM4EKMT2ACYP1A2OPRM1LMNA
SCHEMBL5110993 0.82 NPSR1 (0.39) KMT2ACYP1A2LMNANPSR1CYP3A4
SCHEMBL31693649 0.79 CYP1A2 (0.37) KDM4EKMT2ACYP1A2OPRM1MMP3
SCHEMBL4851344 0.77 KDM4E (0.37) KDM4EKMT2AOPRM1LMNANPSR1
SCHEMBL853241 0.77 KDM4E (0.37) KDM4EKMT2AOPRM1LMNANPSR1
SCHEMBL20669320 0.76 GRM4 (0.39) KDM4EKMT2ACYP1A2LMNACYP2C19
Hydrochloric Acid SCHEMBL28563631 0.76 KDM4E (0.36) KDM4EKMT2AOPRM1LMNANPSR1
Hydrochloric Acid SCHEMBL28563629 0.76 KDM4E (0.36) KDM4EKMT2AOPRM1LMNANPSR1
SCHEMBL231396 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656782-B1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2021-12-22 EP disclosed
EP-3656782-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2020-05-27 EP disclosed
WO-2019015644-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF 四川海思科制药有限公司 2019-01-24 WO disclosed