SCHEMBL8908445

SCHEMBL8908445

CC(=O)NCCCOc1cccc(C2=C3C=CC(=N3)C(c3cccc(OCCCNC(C)=O)c3)=C3C=CC(=N3)C(c3cccc(OCCCNC(C)=O)c3)=C3C=CC(=N3)C(c3cccc(OCCCNC(C)=O)c3)=C3C=CC2=N3)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MTNR1A P48039 16/20 0.52
▸ MTNR1B P49286 16/20 0.52
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MAPT P10636 1/20 0.43

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
SCHEMBL19718155 0.78 PPARA (0.47) —
SCHEMBL584885 0.78 TSHR (0.50) CYP1A2CYP2C19
SCHEMBL8909566 0.78 NOS3 (0.40) CYP1A2CYP2C19
SCHEMBL7614855 0.77 LMNA (0.49) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24061152 0.77 L3MBTL1 (0.62) L3MBTL1MTNR1AMTNR1B
SCHEMBL6847323 0.76 PLA2G4B (0.44) CYP1A2CYP2C19
SCHEMBL6851875 0.76 PLA2G4B (0.44) CYP1A2CYP2C19
SCHEMBL6851520 0.76 PLA2G4B (0.44) CYP1A2CYP2C19
SCHEMBL14806869 0.76 MAOA (0.40) CYP1A2CYP2C19
SCHEMBL14806854 0.76 MAOA (0.40) CYP1A2CYP2C19

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
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 — — WO disclosed
Send feedback