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Sugi Predict / Compounds / SCHEMBL17090178

SCHEMBL17090178

SCHEMBL17090178

CCC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 6/20 0.41
▸ EPHX2 P34913 4/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ LIPC P11150 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ NPY5R Q15761 1/20 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
SCHEMBL13566025 1.00 CRHR1 (0.41) CRHR1EPHX2JAK2JAK1LIPC
SCHEMBL11935326 0.90 CRHR1 (0.43) CRHR1EPHX2JAK2JAK1LIPC
SCHEMBL11936150 0.90 CRHR1 (0.43) CRHR1EPHX2JAK2JAK1LIPC
SCHEMBL13439006 0.83 CRHR1 (0.46) CRHR1EPHX2JAK2JAK1LIPC
SCHEMBL11935317 0.83 CRHR1 (0.46) CRHR1EPHX2JAK2JAK1LIPC
SCHEMBL13565534 0.82 MAPT (0.41) CRHR1CNR2
SCHEMBL11936189 0.81 NPY5R (0.49) CRHR1EPHX2JAK2JAK1LIPC
SCHEMBL11935441 0.81 CRHR1 (0.42) CRHR1EPHX2JAK2JAK1LIPC
SCHEMBL13439177 0.81 CRHR1 (0.42) CRHR1EPHX2JAK2JAK1LIPC
SCHEMBL10114859 0.80 NPSR1 (0.50) EPHX2NPY5R

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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed