SCHEMBL7078885

SCHEMBL7078885

O=C1OCCN1[C@H]1CCCC[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.41
NAAA Q02083 1/20 0.37
NLRP3 Q96P20 4/20 0.36
GRM2 Q14416 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
DGAT1 O75907 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7078889 1.00 SLC18A3 (0.41) SLC18A3NAAANLRP3GRM2CYP2D6
SCHEMBL7078891 1.00 SLC18A3 (0.41) SLC18A3NAAANLRP3GRM2CYP2D6
SCHEMBL3058480 0.78 SLC18A3 (0.40) SLC18A3NAAA
SCHEMBL3058476 0.78 SLC18A3 (0.40) SLC18A3NAAA
SCHEMBL3058478 0.78 SLC18A3 (0.40) SLC18A3NAAA
SCHEMBL8109803 0.78 DPP4 (0.38) NAAAGRM2DGAT1
Hydrochloric Acid SCHEMBL3058456 0.77 SLC18A3 (0.40) SLC18A3NAAA
Hydrochloric Acid SCHEMBL3058459 0.77 SLC18A3 (0.40) SLC18A3NAAA
Hydrochloric Acid SCHEMBL20959320 0.76 DPP4 (0.38) NAAAGRM2DGAT1
SCHEMBL14377510 0.76 SLC18A3 (0.49) SLC18A3CYP2D6CYP1A2CYP2C9TSHR

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-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed