SCHEMBL7158186

SCHEMBL7158186

O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.49
▸ WDR77 Q9BQA1 3/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ SIGMAR1 Q99720 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KCNJ1 P48048 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL7160855 0.83 MEN1 (0.47) PRMT5WDR77ALDH1A1KCNJ1KCNH2
SCHEMBL17986158 0.81 KCNJ1 (0.51) SIGMAR1KDM4EKCNJ1KCNH2TDP1
SCHEMBL8930758 0.79 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1KCNJ1KCNH2
SCHEMBL7158054 0.79 DRD4 (0.46) PRMT5WDR77KDM4EALDH1A1KCNH2
SCHEMBL7159442 0.79 PRMT5 (0.47) PRMT5WDR77OPRD1ALDH1A1
SCHEMBL15709381 0.76 KDM4E (0.47) OPRM1OPRD1SIGMAR1KDM4EALDH1A1
SCHEMBL7157651 0.75 TDP1 (0.69) KDM4EALDH1A1LMNATDP1L3MBTL1
SCHEMBL4582800 0.75 TSHR (0.53) KDM4EALDH1A1KCNJ1KCNH2LMNA
SCHEMBL16364782 0.75 TSHR (0.53) KDM4EALDH1A1KCNJ1KCNH2LMNA
SCHEMBL9610816 0.74 KDM4E (0.65) KDM4EALDH1A1KCNJ1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768898-B1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AG (DE) 2003-04-09 — — EP disclosed
US-6248306-B1 MEDICAL DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-19 — — US disclosed
EP-0768898-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 — — EP disclosed
WO-1996001655-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-25 — — WO disclosed
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