SCHEMBL6534972

SCHEMBL6534972

c1ccc2[nH]c(-c3ccc(OCCN4CCCC4)cc3)cc2c1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.86
KDR P35968 1/20 0.66
ACHE P22303 4/20 0.62
LTA4H P09960 7/20 0.60
PDGFRB P09619 1/20 0.59
PDGFRA P16234 1/20 0.59
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
DRD3 P35462 2/20 0.53
DRD2 P14416 1/20 0.53

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
SCHEMBL6301198 0.93 HRH3 (1.00) HRH3KDRACHELTA4HPDGFRB
SCHEMBL4065305 0.84 HRH3 (0.81) HRH3KDRKDM4ENPC1MAPT
SCHEMBL6637877 0.83 HRH3 (0.62) HRH3KDRACHELTA4HDRD3
SCHEMBL6636304 0.83 CLK2 (0.65) HRH3ACHELTA4HDRD3DRD2
SCHEMBL5078012 0.81 KDR (0.98) HRH3KDRLTA4HPDGFRBPDGFRA
SCHEMBL5079406 0.80 KDR (1.00) HRH3KDRLTA4HPDGFRBPDGFRA
SCHEMBL5078761 0.80 KDR (1.00) HRH3KDRLTA4HPDGFRBPDGFRA
SCHEMBL6295038 0.79 HRH3 (0.63) HRH3KDRKDM4ENPC1MAPT
SCHEMBL4058775 0.79 HRH3 (0.65) HRH3KDRPDGFRBPDGFRAKDM4E
SCHEMBL19719043 0.79 CTSV (0.67) HRH3LTA4HKDM4ENPC1MAPT

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-1011666-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-03-31 EP disclosed
US-6172100-B1 ADMINISTERING AMINATED 1-BENZYL-2-PHENYLINDOLE DERIVATIVES; BENZYLATION ELI LILLY AND COMPANY 2001-01-09 US disclosed
EP-1011666-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-28 EP disclosed
WO-1998048797-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed