SCHEMBL21323345

SCHEMBL21323345

O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CC2CCN(C(=O)c3ccc4[nH]nnc4c3)CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.44
▸ STAT3 P40763 1/20 0.42
▸ GPR183 P32249 8/20 0.42
▸ HTR2B P41595 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ CCR2 P41597 1/20 0.39
▸ MAPK7 Q13164 4/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL21323344 1.00 ENPP2 (0.44) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL16962991 1.00 ENPP2 (0.44) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL16962989 1.00 ENPP2 (0.44) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL16961848 0.98 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL17322750 0.98 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL16961853 0.98 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL21985821 0.98 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL16961845 0.98 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL16961850 0.98 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183HTR2B
SCHEMBL21323342 0.97 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183HTR2B

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-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP disclosed
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