SCHEMBL8480357

SCHEMBL8480357

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)N(Cc3ccc4ccc(C#N)cc4c3)c3ccccc3)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.49
ALK Q9UM73 1/20 0.43
PTPRB P23467 1/20 0.41
PTPN11 Q06124 1/20 0.41
S1PR3 Q99500 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GPR6 P46095 1/20 0.37
HAT1 O14929 2/20 0.37
EP300 Q09472 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL6956441 0.92 GPR119 (0.51) GPR119ALKPTPRBPTPN11GPR6
SCHEMBL8476863 0.92 GPR119 (0.48) GPR119ALKPTPRBPTPN11S1PR3
SCHEMBL8477005 0.91 GPR119 (0.48) GPR119ALKPTPRBPTPN11CHRM2
Hydrochloric Acid SCHEMBL8479869 0.91 GPR119 (0.47) GPR119ALKPTPRBPTPN11S1PR3
SCHEMBL8481044 0.88 GPR119 (0.45) GPR119ALKPTPRBPTPN11CHRM2
SCHEMBL6951070 0.88 GPR119 (0.54) GPR119ALKPTPRBPTPN11MEN1
SCHEMBL6956714 0.87 GPR119 (0.52) GPR119ALKPTPRBPTPN11
Hydrochloric Acid SCHEMBL6956032 0.87 GPR119 (0.51) GPR119ALKPTPRBPTPN11
SCHEMBL8479655 0.86 GPR119 (0.47) GPR119ALKPTPRBPTPN11CHRM2
SCHEMBL6955819 0.86 GPR119 (0.51) GPR119ALKPTPRBPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869501-A PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS OR EMBOLUS. YAMANOUCHI PHARMACEUTICAL CO. LTD (JP) 1999-02-09 US disclosed