SCHEMBL9407978

SCHEMBL9407978

COC(=O)[C@H]1CC[C@H](c2nnc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.47
NAMPT P43490 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
JAK2 O60674 5/20 0.43
JAK3 P52333 5/20 0.43
PTK2 Q05397 5/20 0.43
WNT3A P56704 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HTT P42858 1/20 0.42
SYK P43405 1/20 0.41
IGF1R P08069 1/20 0.40
P2RY14 Q15391 1/20 0.40

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
SCHEMBL9408156 1.00 GPR119 (0.47) GPR119NAMPTPTPN2PTPN1PTPN6
SCHEMBL9407954 0.90 GPR119 (0.45) GPR119NAMPTPTPN2PTPN1PTPN6
SCHEMBL9407986 0.88 GPR119 (0.47) GPR119NAMPTPTPN2PTPN1PTPN6
SCHEMBL6538550 0.84 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6HTT
SCHEMBL9408006 0.82 GPR119 (0.53) GPR119NAMPTPTPN2PTPN1PTPN6
SCHEMBL9407972 0.80 DGAT1 (0.41) P2RY14
SCHEMBL9407975 0.80 DGAT1 (0.41) P2RY14
Hydrochloric Acid SCHEMBL9408043 0.79 DGAT1 (0.41) P2RY14
Hydrochloric Acid SCHEMBL9408112 0.79 DGAT1 (0.41) P2RY14
SCHEMBL9408057 0.79 GPR119 (0.52) GPR119NAMPTPTPN2PTPN1PTPN6

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
EP-0608858-A1 5-Membered heterocycles as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-08-03 EP disclosed