SCHEMBL8777074

SCHEMBL8777074

NCc1ccccc1Nc1ccccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.44
KAT2B Q92831 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
DPP4 P27487 2/20 0.42
PNMT P11086 2/20 0.40
CXCL8 P10145 3/20 0.40
APOBEC3G Q9HC16 1/20 0.39
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C9 P11712 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL258906 0.89 BPTF (0.50) BPTFKAT2BALDH1A1DPP4PNMT
SCHEMBL11019335 0.79 CA12 (0.48) ALDH1A1HPGDCXCL8APOBEC3GKDM4E
SCHEMBL3293143 0.78 CXCL8 (0.59) BPTFKAT2BPNMTCXCL8RAB9A
SCHEMBL2553273 0.77 DPP4 (0.52) DPP4PNMTAPOBEC3GKDM4ESMN1; SMN2
SCHEMBL29437737 0.77 DPP4 (0.52) DPP4PNMTAPOBEC3GKDM4ESMN1; SMN2
SCHEMBL1520973 0.77 MAPT (0.56) ALDH1A1HPGDCXCL8APOBEC3GKDM4E
SCHEMBL11850186 0.77 MAPT (0.54) BPTFKAT2BALDH1A1HPGDDPP4
SCHEMBL28783831 0.76 SIRT2 (0.53) KDM4E
SCHEMBL24728413 0.76 ALDH1A1 (0.52) ALDH1A1HPGDAPOBEC3GRAB9AGAA
Hydrochloric Acid SCHEMBL8987512 0.75 DPP4 (0.50) DPP4PNMTAPOBEC3GKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800513-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1997-10-15 EP disclosed
US-5605932-A Opiate receptor ligands CHIRON CORPORATION (US) 1997-02-25 US disclosed
US-5536868-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1996020921-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1996-07-11 WO disclosed
US-5481020-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-01-02 US disclosed