SCHEMBL21323342

SCHEMBL21323342

O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCC2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.46
▸ DGAT2 Q96PD7 1/20 0.46
▸ STAT3 P40763 1/20 0.42
▸ GPR183 P32249 11/20 0.42
▸ CCR2 P41597 1/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ ATXN2 Q99700 1/20 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
SCHEMBL16961762 1.00 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL16961758 1.00 ENPP2 (0.46) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL16963375 0.98 ENPP2 (0.47) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL16963378 0.98 ENPP2 (0.47) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL16963382 0.98 ENPP2 (0.47) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL16963380 0.98 ENPP2 (0.47) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL16962989 0.97 ENPP2 (0.44) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL21323344 0.97 ENPP2 (0.44) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL21323345 0.97 ENPP2 (0.44) ENPP2DGAT2STAT3GPR183CCR2
SCHEMBL16962991 0.97 ENPP2 (0.44) ENPP2DGAT2STAT3GPR183CCR2

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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