SCHEMBL7828640

SCHEMBL7828640

Cc1cc(Cc2ccc(O)cc2-c2ccc(NC(=O)C3CCC(=O)N3C)cc2)ccc1CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.43
F2 P00734 4/20 0.41
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CCR3 P51677 7/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL6172364 0.85 F2 (0.61) P2RX7F2ESR1ESR2
SCHEMBL7819870 0.84 PARP1 (0.41) F2ESR1ESR2
Oxalic Acid SCHEMBL6171999 0.83 F2 (0.60) P2RX7F2ESR1ESR2
SCHEMBL7819885 0.80 P2RX7 (0.44) P2RX7CCR3
SCHEMBL6174045 0.77 F2 (0.56) F2ESR1ESR2
SCHEMBL7452879 0.76 F2 (0.52) F2
SCHEMBL7812445 0.72 F2 (0.49) F2ESR1ESR2
SCHEMBL7830026 0.72 F2 (0.51) F2ESR1
SCHEMBL6967074 0.72 F2 (0.56) F2ESR1ESR2
Oxalic Acid SCHEMBL6170789 0.71 F2 (0.58) F2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP claimed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP claimed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO claimed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed